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Cas Database |
| Name |
4-Chloro-1,3-benzenediamine |
EINECS | 225-877-9 |
| CAS No. | 5131-60-2 | Density | 1.346 g/cm3 |
| PSA | 52.04000 | LogP | 2.66680 |
| Solubility | <0.1 g/100 mL at 19℃ | Melting Point |
87-90°C(lit.) |
| Formula | C6H7ClN2 | Boiling Point | 298.6 °C at 760 mmHg |
| Molecular Weight | 142.588 | Flash Point | 134.4 °C |
| Transport Information | UN 1673 6.1/PG 3 | Appearance | Gray powder or dark purple solid |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
m-Phenylenediamine,4-chloro- (6CI,7CI,8CI);1-Chloro-2,4-diaminobenzene;2,4-Diaminochlorobenzene;3-Amino-4-chloroaniline;4-Chloro-3-aminoaniline;4-Chloro-m-phenylenediamine; |
Article Data | 47 |
4-Chloro-1,3-benzenediamine Chemical Properties
Molecular Structure of 4-Chloro-1,3-benzenediamine (CAS NO.5131-60-2):
.png)
IUPAC Name: 4-chlorobenzene-1,3-diamine
Empirical Formula: C6H7ClN2
Molecular Weight: 142.5862
H bond acceptors: 2
H bond donors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 6.48 Å2
Index of Refraction: 1.67
Molar Refractivity: 39.62 cm3
Molar Volume: 105.9 cm3
Surface Tension: 59.9 dyne/cm
Density: 1.345 g/cm3
Flash Point: 134.4 °C
Enthalpy of Vaporization: 53.85 kJ/mol
Boiling Point: 298.6 °C at 760 mmHg
Vapour Pressure: 0.00126 mmHg at 25°C
EINECS: 225-877-9
Melting Point: 87-90 °C
Water Solubility: <0.1 g/100 mL at 19 ºC
Classification Code: Mutation data; Tumor data
InChI
InChI=1/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2
Smiles
c1(c(ccc(c1)N)Cl)N
4-Chloro-1,3-benzenediamine Toxicity Data With Reference
| 1. | mmo-sat 1 mg/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
| 2. | mma-sat 10 µg/plate | ENMUDM Environmental Mutagenesis. 7 (Suppl 5)(1985),1. | ||
| 3. | orl-rat TD:1092 g/kg/78 W-C:CAR,REP | IARC** IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (World Health Organization, Internation Agency for Research on Cancer, Lyon, France) 27 (1982),81. | ||
| 4. | orl-rat TD:2184 g/kg/78 W-C:CAR,REP | IARC** IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (World Health Organization, Internation Agency for Research on Cancer, Lyon, France) 27 (1982),81. |
4-Chloro-1,3-benzenediamine Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(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) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 27 , 1982,p. 81.(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) . NCI Carcinogenesis Bioassay (feed); Clear Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-85 ,1978. . Reported in EPA TSCA Inventory.
4-Chloro-1,3-benzenediamine Safety Profile
Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also Aromatic amines.
Safety information of 4-Chloro-1,3-benzenediamine (CAS NO.5131-60-2):
Hazard Codes: 
Xi
Risk Statements:
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
RIDADR: UN 1673 6.1/PG 3
WGK Germany: 3
RTECS: SS8800000
HazardClass: 6.1
PackingGroup: III
4-Chloro-1,3-benzenediamine Specification
4-Chloro-1,3-benzenediamine , with CAS number of 5131-60-2, can be called 1,3-Benzenediamine, 4-chloro- ; 1-Chloro-2,4-diaminobenzene ; 4-Chloro-m-p.henylenediamine ; 4-Chlorophenylene-1,3-diamine ; m-Phenylenediamine, 4-chloro- ; p-Chlor-m-fenylendiamin ; p-Chloro-m-phenylenediamine . It is a gray powder or dark purple solid, be sensitive to prolonged exposure to light and air and it is insoluble in water. 4-Chloro-1,3-benzenediamine (CAS NO.5131-60-2) is a positive animal carcinogen and suspected human carcinogen, used in organic synthesis intermediate.
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