4-Chloro-M-phenylenediamine

4-CHLORO-M-PHENYLENEDIAMINE · ci76027 · 4-Cl-m-Pd · c.i.76027 · C.I. 76027 · NCI-C03305 · p-Chlor-m-fenylendiamin · 3-Amino-4-chloroaniline

https://huagongshe.com/ko/chemical/21209

식별자 및 물리적 특성

CAS No.	5131-60-2
분자식	C6H7ClN2
평균 분자량	142.58 g/mol
단동위원소 질량	142.0297759 g/mol
SMILES	Nc1ccc(Cl)c(N)c1
InChIKey	ZWUBBMDHSZDNTA-UHFFFAOYSA-N
PubChem CID	21209
ChEMBL	CHEMBL564253
ChEBI	CHEBI:82421
EC No.	225-877-9
DTXSID	DTXSID0020282

화학 및 물리적 성질

XLogP	0.8
극성 표면적	52
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	97.1
물질 분류	Nitrogen Compounds -> Amines, Aromatic
LogP(분배 계수)	0.85
Color/Form	PLATES OR NEEDLES
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)SLIGHTLY SOL IN WATER, SOL IN ALCOHOL, INSOL IN PETROLEUM ETHER
녹는점	196 °F (NTP, 1992)91 °C87-90 °C (lit.)
증기압	0.00206 [mmHg]
Physical Description	4-chloro-m-phenylenediamine appears as gray powder or dark purple solid. (NTP, 1992)Gray or dark purple solid[CAMEO] Brown crystalline solid[MSDSonline]
끓는 점	232.49°C (rough estimate)
밀도	1.2124 (rough estimate)
굴절률	1.5210 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
물리적 상태	powder to crystal
pKa(산도 계수)	3.95±0.10(Predicted)
색상	흰색에서 회색, 갈색까지
용해도	19ºC에서 <0.1g/100mL
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
NIST	1,3-Benzenediamine, 4-chloro-(5131-60-2)
EPA	4-Chloro-m-p.henylenediamine (5131-60-2)

화학적 성질

Crystals. Soluble in ethanol; slightly soluble in water; insoluble in petroleum ether.

안전 및 규제

GHS 분류	WarningH315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
건강 유해성	ACUTE/CHRONIC HAZARDS: This compound is a positive animal carcinogen and suspected human carcinogen. (NTP, 1992)
유해성 요약	An irritantEffects in high-dose animal studies include convulsions and lacrimation[MSDSonline]
반응성 그룹	Aryl Halides
Special Reports	Bioassay of 4-Chloro-m-phenylenediamine for Possible Carcinogenicity (1978) Technical Rpt Series No. 85 DHEW Pub No. (NIH) 78-1335, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014
Reactivity Profile	Aryl 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 and Water Reactions	This compound is sensitive to prolonged exposure to light and air. Insoluble in water.
Hazard Classes and Categories	Skin Irrit. 2 (97.9%)
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

용도

This compound has uses in dye production and in rubber processing.

일반 설명

Gray powder or dark purple solid.