ChemicalBook CAS DataBase List 5131-60-2

5131-60-2

Name	4-Chloro-1,3-benzenediamine
CAS	5131-60-2
EINECS(EC#)	225-877-9
Molecular Formula	C6H7ClN2
MDL Number	MFCD00025284
Molecular Weight	142.59
MOL File	5131-60-2.mol

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

Chemical Properties

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

Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
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. less more
Hazardous Substances Data	5131-60-2(Hazardous Substances Data)

Hazard Information

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

6283-25-6

5131-60-2

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

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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