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N,N,N’,N’-tetramethyl-1,3-butanediamine

admin — Thu, 30 May 2024 09:59:39 +0000

Structural formula

Business number	02CR
Molecular formula	C8H20N2
Molecular weight	144.26
label	N,N,N’,N’-tetramethyl-1,3-diaminobutane, (CH3)2NCH(CH3)CH2CH2N(CH3)2, 1,3-Bis(dimethylamino)butane, 1,3-Diaminobutane,n,n,n’,n’-tetramethyl-, N,n,n(sup1),n(sup1)-tetramethyl-1,3-diaminobutane, N,n,n’,n”-tetramethylbutane-1,3-diamine, N,n,n’,n’-tetramethylbutane-1,3-diamine, N,n,n’,n’-tetramethyl-3-butanediamine

Numbering system

CAS number:97-84-7

MDL number:MFCD00025678

EINECS number:202-610-4

RTECS number:EJ7525000

BRN number:1698054

PubChem number:24848551

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25℃): 0.787

3. Relative vapor density (g/mL, air=1): 5

4. Melting point (oC): Undetermined

5. Boiling point (oC, normal pressure): 165

6. Boiling point (oC, kPa): Undetermined

7. Refractive index: 1.431

8. Flash point (oC): 41

9. Specific rotation (o): Undetermined

10 . Autoignition point or ignition temperature (oC): Not determined

11. Vapor pressure (mmHg, 20oC): 1.64

12. Saturated vapor pressure (kPa, oC): Not determined Determined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa ): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): 7.8

18. Lower explosion limit (%, V/V): 0.8

19. Solubility: Undetermined

Toxicological data

1. Skin/eye irritation: Start irritation test: rabbit skin contact, 1mgREACTION SEVERITY, moderate reaction; Standard Dresser test: rabbit eye contact, 5mgREACTION SEVERITY, moderate reaction; 2. Acute toxicity: Rat oral LD50: 750mg /kg; Rat inhalation LC50: 360ppm/4H; Mouse intravenous injection LD50: 180mg/kg; ? ? Rabbit skin contact LD50: 320mg/kg; 3. Other multiple dose toxicity: rat inhalation TCLo: 50700ppb/6H/11D-I;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 46.51

2. Molar volume (cm³/mol): 175.4

3. Isotonic specific volume (90.2K ): 399.1

4. Surface tension (dyne/cm): 26.7

5. Polarizability (10-24cm3): 18.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 79.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

None

N,N’-diphenyl-p-phenylenediamine

admin — Tue, 21 May 2024 09:24:06 +0000

Structural formula

Business number	01HG
Molecular formula	C18H16N2
Molecular weight	260.33
label	Anti-aging agent PPD, diphenyltetraphenyldiamine, 1,4-Diphenylaminobenzene, Antioxidant PPD, 2-phenyl-4-phenyl-diamine, 1,4 – diphenyl benzene, Universal antioxidant

Numbering system

CAS number:74-31-7

MDL number:MFCD00003015

EINECS number:200-806-4

RTECS number:ST2275000

BRN number:2215944

PubChem number:24867020

Physical property data

1. Properties: gray powder or flakes. Is flammable. The color becomes darker in the air and under light

2. Density (g/mL, 25/4℃): 1.22～1.31

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (oC): 152

5. Boiling point ( oC, normal pressure): 282

6. Boiling point (oC, 0.5mmHg): 220-225

7. Refractive index: Uncertain

8. Flash point (oC, 1mmHg): 220-225

9. Specific rotation (o): Uncertain

10. Autoignition point or ignition temperature (oC): Uncertain

11. Vapor pressure (kPa, 25 oC): Uncertain

12. Saturated vapor pressure (kPa, 60 oC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (oC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper explosion limit (%, V/V): Uncertain

18. The lower explosion limit (%, V/V): Uncertain

19. Solubility: Soluble in benzene and ethanol, insoluble in gasoline and water (<0.1 g/100 mL at 20 oC)

Toxicological data

Acute toxicity: rat oral LD50: 2370 mg/kg; mouse oral LD50: 18 mg/kg; mouse intraperitoneal LD50: 300 mg/kg; tumorigenicity: mouse subcutaneous injection TDLo: 1000 mg/kg; breeding : Rat oral TDLo: 450 mg/kgSEX/DURATION: female 14 day(s) pre-mating female 1-22 day(s) after conception; Rat oral TDLo: 2500 mg/kgSEX/DURATION: female 1- 22 day(s) after conception; Mouse oral TDLo: 4176 mg/kgSEX/DURATION: female 6-14 day(s) after conception; Mutagenicity: SandMicrobial test system for Mammalian gene mutation: 10 ug/plate; Hamster lung cytogenetic analysis test system: 1800 ug/L; Hamster lung Mutation in mammalian somatic cellsTEST SYSTEM: 30 mg/L;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 85.00

2. Molar volume (cm³/mol): 221.5

3. Isotonic specific volume (90.2K): 593.9

4. Surface tension (dyne/cm): 51.6

5. Polarizability (10^-24cm³): 33.69

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 231

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Stored in a cool, dry warehouse, protected from fire, moisture and sun.

Synthesis method

Hydroquinone and aniline react under the catalysis of triethyl phosphate for a certain period of time at 280~300℃ and a pressure of 0.7MPa. After the reaction, vacuum distillation was performed. Excess aniline is removed first under low vacuum, and then the intermediate is evaporated under higher vacuum. The remaining materials after steaming the intermediate are sliced, powdered, and packaged to become the finished product. The synthesis reaction is as follows

Purpose

is a general-purpose antioxidant. It has excellent resistance to flexural cracking and has excellent protection against heat, oxygen, ozone, and photoaging, especially copper and manganese damage. It is polluting and will discolor the rubber. It is not suitable for light-colored and bright-colored products. It is often used in the manufacture of various tires and dark-colored products. Because of its low solubility in rubber, it is easy to bloom. Mainly used as rubber antioxidant, suitable for natural rubber, styrene-butadiene rubber, and butadiene rubber. The reference dosage is 0.2 to 0.3 parts by mass.

N,N-diethyl-p-phenylenediamine

admin — Fri, 17 May 2024 07:19:20 +0000

Structural formula

Business number	025P
Molecular formula	C10H16N2
Molecular weight	164.25
label	4-diethylaminoaniline, p-Amino-N,N-diethylaniline, Diethyl p-phenylenediamine, N,N-diethyl-1,4-phenylenediamine, p-Amino-N,N-diethylaniline, Diethyl-N,N-p-phenylenediamine, 4-(Diethylamino)aniline, 4-Diethylaminoaniline, N,N-diethyl-p-phenylendiamine, DPD, 4-(Diethylamino)aniline, p-Amino-N,N-diethylaniline, N,N-Diethyl-1,4-phenylenediamine, developer

Numbering system

CAS number:93-05-0

MDL number:MFCD00007861

EINECS number:202-214-1

RTECS number:SS9275000

BRN number:879361

PubChem number:24855816

Physical property data

1. Properties: Light yellow liquid, changes color when exposed to light or air.

2. Density (g/mL, 25/4℃): 0.988

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (oC): 23

5. Boiling point (oC, normal pressure): 260-262

6. Boiling point (oC, 5.2kPa): Undetermined

7. Refractive index: 1.571

8. Flash point (oC): 139

9. Specific rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Undetermined

11. Vapor pressure (kPa, 25oC): Undetermined

12. Saturated vapor pressure ( kPa, 60oC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Can be mixed with alcohol and ether, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 54.06

2. Molar volume (cm³/mol): 162.7

3. Isotonic specific volume (90.2K ): 414.7

4. Surface tension (dyne/cm): 42.1

5. Polarizability (10-24cm3): 21.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 29.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 113

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

This product is toxic and may cause obvious allergic reactions on skin contact.

Storage method

1. This product is toxic. Toxic chemicals such as diethylaniline and sodium nitrite are used in the production process. Therefore, the equipment must be sealed and production personnel must wear protective gear when operating. Reactive materials should be prevented from direct contact with skin or inhalation of dust.

2. Packed in an iron drum lined with plastic bags and stored in a cool, dry place away from light. Store and transport according to regulations on toxic chemicals.

Synthesis method

Using N,N-diethylaniline as raw material, it is obtained through nitrosation, reduction and neutralization: the process is as follows: (1) Nitrosation: Add 150kg water, 35kg N,N-diethylaniline and 72kg to the kettle Hydrochloric acid, cool to 0°C. At 0-5°C, add 50% sodium nitrite solution (prepared to 100% 18.5kg). After adding, stir for half an hour and add 6kg of salt. Stir for 2h. Filter to obtain p-nitroso-N,N-diethylaniline. (2) Reduction and neutralization Add 150kg water and 11kg hydrochloric acid to the kettle. Stir, add 41kg of iron powder, cool to 15°C, and add nitrite at 20-25°C. After the addition is completed, add 5kg of iron powder and stir at 20-25°C for 3 hours. Add 7kg of sodium carbonate, stir for 15 minutes, and filter. The filter cake is washed with hot water. Add 50kg liquid alkali (30%) and 15kg salt to the filtrate and washing liquid, and let stand for layering. The upper material distillation kettle is distilled under reduced pressure at 120-150°C and a vacuum of 8kPa to collect the fractions to obtain p-amino-N,N-diethylaniline.

Purpose

Dye intermediates. Its hydrochloride and sulfate can be used as color photographic developers.

N,N,N’,N’-tetramethyldiaminomethane

admin — Tue, 07 May 2024 10:28:12 +0000

Structural formula

Physical competition number	0159
Molecular formula	C5H14N2
Molecular weight	102.18
label	Tetramethylmethanediamine, Bis(dimethylamino)methane, N,N,N’,N’-Tetramethyldiaminomethane

Numbering system

CAS number:51-80-9

MDL number:MFCD00008328

EINECS number:200-124-7

RTECS number:PA6700000

BRN number:1731946

PubChem number:24848864

Physical property data

None

Toxicological data

1. Acute toxicity: mouse abdominal LD50: 220mg/kg; quail oral LD50: >316mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 32.65

2. Molar volume (cm³/mol): 125.5

3. Isotonic specific volume (90.2K ): 282.4

4. Surface tension (dyne/cm): 25.5

5. Polarizability (10-24cm3): 12.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 6.5

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 35.3

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

N,N’-bis(salicylidene)ethylenediamine

admin — Sun, 28 Apr 2024 08:11:19 +0000

Structural formula

Business number	028D
Molecular formula	C16H16N2O2
Molecular weight	268.31
label	N,N’-disalicylicaldehyde ethylenediamine, N,N’-Bis(2-hydroxybenzylidene)ethylenediamine, N,N’-Disalicylalethylenediamine

Numbering system

CAS number:94-93-9

MDL number:MFCD00002244

EINECS number:202-376-3

RTECS number:SL3780000

BRN number:535296

PubChem number:24854136

Physical property data

1. Appearance: yellow crystal or powder

2. Density (g/mL, 20℃): Undetermined

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (oC): 127-128

5. Boiling point (oC, normal pressure): Undetermined

6 . Boiling point (oC, mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (oC): Not determined

9. Specific rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Undetermined

11. Vapor pressure (mmHg,oC): Undetermined

12. Saturated vapor pressure (kPa, oC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature ( oC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in benzene, ethanol and ether, insoluble in water.

Toxicological data

1. Acute toxicity: oral LDLo in rats: 500mg/kg; intraperitoneal LD50 in mice: 100mg/kg;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 78.99

2. Molar volume (cm³/mol): 237.1

3. Isotonic specific volume (90.2K ): 613.3

4. Surface tension (dyne/cm): 44.7

5. Polarizability (10-24cm3): 31.31

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.5

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 6

6. Topological molecular polar surface area (TPSA): 58.2

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 523

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 2

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Store sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

Fluorometric determination of magnesium. Inhibitors of metal ions.