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| CAS No.: | 541-69-5 |
|---|---|
| Name: | Benzene-1,3-diamine dihydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10Cl2N2 |
| Molecular Weight: | 181.065 |
| Synonyms: | 1,3-Benzenediamine,dihydrochloride (9CI);m-Phenylenediamine, dihydrochloride (8CI);1,3-Diaminobenzene dihydrochloride;1,3-Phenylenediamine dihydrochloride;m-Phenylenediamine hydrochloride;m-Phenylenediammonium dichloride; |
| EINECS: | 208-790-0 |
| Melting Point: | 260°C (dec.) |
| Boiling Point: | 283.2 °C at 760 mmHg |
| Flash Point: | 147.6 °C |
| Solubility: | Freely soluble in water |
| Appearance: | white to slightly red crystalline powder |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 23/24/25-36-40-43-50/53-68 |
| Safety: | 28-36/37-45-60-61-28A |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 52.04000 |
| LogP: | 3.61740 |
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Chemistry
Molecular Structure of Benzene-1,3-diamine dihydrochloride (CAS NO.541-69-5):
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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: 6.48Å2
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
Toxicity Data With Reference
| 1. | mmo-sat 50 µg/plate | ENMUDM Environmental Mutagenesis. 7 (1985),535. | ||
| 2. | ipr-rat LD50:325 mg/kg | NCIBR* Progress Report for Contract No. NIH-NCI-E-68-1311, Submitted to the National Cancer Institute by Bio-Research Consultants, Inc. (9 Commercial Ave., Cambridge, MA 02141) NIH-NCI-E-68-1311,10 ,1973. | ||
| 3. | ipr-mus LD50:100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD414-344 . |
Consensus Reports
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.
Safety Profile
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 NOx. 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
Specification
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.