| Identification | More | [Name]
4-Chloro-1,3-benzenediamine | [CAS]
5131-60-2 | [Synonyms]
1,3-DIAMINO-4-CHLOROBENZENE
2,4-DIAMINOCHLOROBENZENE
4-CHLORO-1,3-PHENYLENEDIAMINE
4-CHLORO-3-PHENYLENEDIAMINE
4-CHLORO-M-PHENYLENEDIAMINE
1,3-benzenediamine,-chloro-
1-Chloro-2,4-Diaminobenzene
4-Chloro-1,3-benzenediamine
4-chloro-3-benzenediamine
4-Chloro-meta-phenylenediamine
4-chloro-m-phenylenediamin
4-Chlorophene-1,3-diamine
4-Chlorophenylene-1,3-diamine
4-Cl-m-Pd
C.I. 76027
c.i.76027
ci76027
m-Phenylenediamine, 4-chloro-
NCI-C03305
p-Chlor-m-fenylendiamin | [EINECS(EC#)]
225-877-9 | [Molecular Formula]
C6H7ClN2 | [MDL Number]
MFCD00025284 | [Molecular Weight]
142.59 | [MOL File]
5131-60-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
87-90 °C (lit.) | [Boiling point ]
232.49°C (rough estimate) | [density ]
1.2124 (rough estimate) | [refractive index ]
1.5210 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to crystal | [pka]
3.95±0.10(Predicted) | [color ]
White to Gray to Brown | [Water Solubility ]
<0.1 g/100 mL at 19 ºC | [InChI]
1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2 | [InChIKey]
ZWUBBMDHSZDNTA-UHFFFAOYSA-N | [SMILES]
Nc1ccc(Cl)c(N)c1 | [CAS DataBase Reference]
5131-60-2(CAS DataBase Reference) | [IARC]
3 (Vol. 27, Sup 7) 1987 | [NIST Chemistry Reference]
1,3-Benzenediamine, 4-chloro-(5131-60-2) | [EPA Substance Registry System]
5131-60-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1673 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
SS8800000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29215900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [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. | [Hazardous Substances Data]
5131-60-2(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Gray powder or dark purple solid. | [Reactivity Profile]
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. | [Air & Water Reactions]
This compound is sensitive to prolonged exposure to light and air. Insoluble in water. | [Health Hazard]
ACUTE/CHRONIC HAZARDS: This compound is a positive animal carcinogen and suspected human carcinogen. | [Fire Hazard]
Flash point data for this chemical are not available; however, 4-CHLORO-M-PHENYLENEDIAMINE(5131-60-2) is probably combustible. | [Chemical Properties]
Crystals. Soluble in ethanol; slightly soluble in water;
insoluble in petroleum ether. | [Uses]
4-Chloro-1,3-diaminobenzene has been used to study the mutagenic effect of phenylenediamines hair chemicals on Salmonella typhimurium TA 102. | [Uses]
This compound has uses in dye production and in rubber
processing. | [Definition]
ChEBI: 4-Chloro-meta-phenylenediamine is a member of monochlorobenzenes. | [Synthesis]
General method: 2-chloro-5-nitroaniline (1 mmol), Pd/C (5% w/w) and methanol (5 mL) were mixed in a reaction vial and hydrazine hydrate (10 mmol) was added to the mixture. The reaction system was heated at reflux at 80 °C for 5 min. Upon completion of the reaction, the mixture was filtered while hot to remove the catalyst and the filtrate was concentrated under reduced pressure to remove the solvent. The crude product was purified by fast column chromatography to give 4-chloro-1,3-benzenediamine. | [References]
[1] RSC Advances, 2016, vol. 6, # 23, p. 19331 - 19340
[2] Synlett, 2014, vol. 25, # 10, p. 1403 - 1408
[3] Patent: WO2006/40568, 2006, A1. Location in patent: Page/Page column 70
[4] Catalysis Communications, 2016, vol. 84, p. 25 - 29 |
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