Molecular Structure of Benzene-1,3-diamine dihydrochloride (CAS NO.541-69-5):

IUPAC Name: benzene-1,3-diamine dihydrochloride 
Empirical Formula: C₆H₁₀Cl₂N₂
Molecular Weight: 181.063
H bond acceptors: 2
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 6.48Ų
Flash Point: 147.6 °C
Enthalpy of Vaporization: 52.21 kJ/mol
Boiling Point: 283.2 °C at 760 mmHg
Vapour Pressure: 0.00321 mmHg at 25°C
EINECS: 208-790-0
Melting point: 260°C (dec.)
Water Solubility: freely soluble
Merck: 14,7283
BRN: 3911748
InChI
InChI=1/C6H8N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h1-4H,7-8H2;2*1H
Smiles
c1c(cccc1N)N.Cl.Cl
Product Categories: Intermediates of Dyes and Pigments

IARC Cancer Review: Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 16 ,1978,p. 111.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Poison by intraperitoneal route. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of HCl and NO_x. See also m-phenylenediamine; o-phenylenediamine; p-phenylenediamine; o-phenylenediamine dihydrochloride; p-phenylenediamine dihydrochloride; p-phenylenediaminesulfonic acid; 1,3-phenylenediamine-4-sulfonic acid and amines.
Safety information of Benzene-1,3-diamine dihydrochloride (CAS NO.541-69-5):
Hazard Codes: T,N
Risk Statements: 23/24/25-36-40-43-50/53-68
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed ;
R36:Irritating to the eyes ;
R40:Limited evidence of a carcinogenic effect ;
R43:May cause sensitization by skin contact ;
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment ;
R68:Possible risk of irreversible effects ;
Safety Statements: 28-36/37-45-60-61
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) ;
S36/37:Wear suitable protective clothing and gloves ;
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 ;
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: SS9800000
F: 8-9-23
HazardClass: 6.1
PackingGroup: III

  Benzene-1,3-diamine dihydrochloride , with CAS number of 541-69-5, can be called 1,3-Benzenediamine hydrochloride ; 1,3-Phenylenediamine dihydrochloride ; 1,3-Diaminobenzene dihydrochloride ; 3-Aminoaniline dihydrochloride ; m-Aminoaniline dihydrochloride ; m-Benzenediamine dihydrochloride . The Benzene-1,3-diamine dihydrochloride (CAS NO.541-69-5) is stable under normal temperatures and pressures, but be imcompatible with strong oxidizing agents. Hazardous decomposition products are hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen. Benzene-1,3-diamine dihydrochloride (CAS NO.541-69-5) is used as analytical reagents and dyes intermediates.