N,N-Dimethyl-p-toluidine N,N-Dimethyl-p-toluidine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:99-97-8

MDL number:MFCD00008316

EINECS number:202-805-4

RTECS number:XU5803000

BRN number:774409

PubChem number:24866113

Physical property data

1. Properties: light yellow liquid.

2. Density (g/mL, 25℃): 0.937

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

4. Melting point (ºC): -25

5. Boiling point (ºC, normal pressure): 211

6. Boiling point (ºC, 45mmHg): Undetermined

7. Refractive index: 1.546

8. Flash point (ºC): 83

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Not determined

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 Determined

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

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: mouse peritoneal cavity LD50: 212mg/kg; 2. Mutagenicity: DNA damage Oral test: rat, 1082mg/kg;DNA damage peritoneal cavity test: rat, 541mg/kg; DNA damage peritoneal cavity test: mouse, 135mg/kg; Micronucleus test: hamster lung, 900μmol/L;

Acute toxicity:

Inhalation LC50/4H 1400mg/m3/4H (rat)

Main irritating effects:

On the skin: Irritating the skin and mucous membranes.

On eyes: Irritation effects

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard level 3 (German regulations) (self-assessment via list) This substance is extremely hazardous to water.

Do not allow this product to come into contact with groundwater, waterways or sewage systems, even in small amounts.

Even small amounts of product seeping into the ground can pose a hazard to drinking water

Do not discharge materials into the surrounding environment without government permission.

Toxic to organic matter in water.

Molecular structure data

1. Molar refractive index: 45.39

2. Molar volume (cm³/mol): 143.6

3. Isotonic specific volume (90.2K ): 346.9

4. Surface tension (dyne/cm): 33.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.99

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 90.9

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

Avoid contact with strong oxidants, acids, acid anhydrides, and acidic chlorides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, acidic substances, acid anhydrides, acid chlorides, and food chemicals, and avoid mixed storage. 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 yet

Purpose

Used to make self-setting dental tray water