91-94-1

Name 3,3'-Dichlorobenzidine
CAS 91-94-1
EINECS(EC#) 202-109-0
Molecular Formula C12H10Cl2N2
MDL Number MFCD00043917
Molecular Weight 253.13
MOL File 91-94-1.mol

Chemical Properties

Appearance 3,3’-Dichlorobenzidine is a gray or purple crystalline solid.
Melting point  132.5°C
Boiling point  398.89°C (rough estimate)
density  1.3171 (rough estimate)
vapor pressure  4.2 x 10-7 at 25 °C (estimated, Howard, 1989)
refractive index  1.6400 (estimate)
Fp  10 °C
storage temp.  2-8°C
solubility  Soluble in ethanol, benzene, and glacial acetic acid (Windholz et al., 1983)
form  neat
pka 2.70±0.10(Predicted)
Stability: Stable. Incompatible with strong oxidizing agents.
Water Solubility  3.114mg/L(25 ºC)
Henry's Law Constant 4.5 x 10-8 atm?m3/mol at 25 °C (estimated, Howard, 1989)
Major Application cleaning products
cosmetics
environmental
food and beverages
personal care
InChI 1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2
InChIKey HUWXDEQWWKGHRV-UHFFFAOYSA-N
SMILES Clc1c(ccc(c1)c2cc(c(cc2)N)Cl)N
CAS DataBase Reference 91-94-1(CAS DataBase Reference)
IARC 2B (Vol. 29, Sup 7) 1987
NIST Chemistry Reference [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dichloro-(91-94-1)
EPA Substance Registry System 91-94-1(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H312-H317-H350-H410
Precautionary statements  P201-P202-P273-P280-P302+P352+P312-P308+P313
Hazard Codes  T,N,F
Risk Statements 
R45:May cause cancer.
R21:Harmful in contact with skin.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  DD0550000
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29215900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Aquatic Acute 1
Aquatic Chronic 1
Carc. 1B
Skin Sens. 1
Safety Profile
Confirmed carcinogen with experimental carcinogenic and tumorigenic data. Human mutation data reported. When heated to decomposition it emits very toxic fumes of Cl and NOx.
Hazardous Substances Data 91-94-1(Hazardous Substances Data)
Toxicity
Acute oral LD50 for rats as free base or dihydrochloride are 7,070 and 3,820, respectively (Gerade and Gerade, 1974).

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier