3,3′-Dimethoxybenzidine

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:119-90-4

MDL number:MFCD00008372

EINECS number:204-355-4

RTECS number:DD0875000

BRN number:1879884

PubChem ID:None

Physical property data

1. Properties: tan powder^[1]

2. Melting point (℃): 137~138^[2]

3. Boiling point (℃): 356^[3]

4. Relative vapor density (air=1): 8.43^[4]

5. Octanol/water partition coefficient: 1.81^[5]

6. Flash point (℃): 206 (CC) ^[6]

7. Solubility: Insoluble in water, soluble in ethanol, ether, benzene, chloroform, acetone, etc. ^[7]

Toxicological data

1. Acute toxicity^[8] LD50: 1920mg/kg (rat oral)

2. Irritation No information available

3. Mutagenicity^[9] Procedure External DNA synthesis: human HeLa cells 100nmol/L. DNA damage: human lymphocytes 200 μmol/L (2h).

4. Carcinogenicity^[10] IARC Carcinogenicity Comment: G2B, suspected human carcinogen.

Ecological data

1. Ecotoxicity No data yet

2. Biodegradability^[11]

Aerobic biodegradation (h): 672~4320

Anaerobic biodegradation (h): 672~2688

3 .Non-biodegradability^[12]

Photolysis maximum light absorption wavelength range (nm): 212~302

Photooxidation half-life in water (h): 31.2~1740

Photooxidation half-life in air (h): 0.347~3.47

Molecular structure data

1. Molar refractive index: 72.67

2. Molar volume (cm³/mol): 207.2

3. Isotonic specific volume (90.2K ): 545.6

4. Surface tension (dyne/cm): 48.0

5. Polarizability (10^-24cm³): 28.81

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: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 70.5

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 236

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

1. Stability^[13] Stable

2. Incompatible materials ^[14] Strong oxidants, acids, acid anhydrides, acid chlorides

3. Conditions to avoid contact ^[15] Heating

4. Polymerization hazard^[16] No polymerization

5. Decomposition products^[17] Ammonia

Storage method

Storage Precautions^[18] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The packaging is sealed. They should be stored separately from oxidants, acids, 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

Purpose

1. Used for the determination of cobalt, copper, gold, vanadium, thiocyanate, determination of gold and nitrite, redox indicator, complex indicator, and azo dye manufacturing.

2. Used as dye intermediate. ^[19]