4-클로르-o-톨루딘

4-클로로-o-톨루이딘 · 4-클로르-o-톨루딘 · 4-클로로-2-메틸아닐린 · 4-CHLORO-O-TOLUIDINE · P-CHLORO-O-TOLUIDINE · FAST RED TR BASE · 4-chloro-2-methylbenzenamine · Ipsilon

https://huagongshe.com/ko/chemical/7251

식별자 및 물리적 특성

CAS No.	87999-30-2
분자식	C7H8ClN
평균 분자량	141.6 g/mol
단동위원소 질량	141.03452694 g/mol
SMILES	Cc1cc(Cl)ccc1N
InChIKey	CXNVOWPRHWWCQR-UHFFFAOYSA-N
PubChem CID	7251
ChEMBL	CHEMBL3181910
ChEBI	CHEBI:82276
EC No.	202-441-6
DTXSID	DTXSID1041508
현지명	4-클로르-o-톨루딘

화학 및 물리적 성질

XLogP	1.9
극성 표면적	26
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	94.9
물질 분류	Nitrogen Compounds -> Amines, AromaticCarcinogens
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
LogP(분배 계수)	2.27
밀도	greater than 1.1 at 68 °F (est) (USCG, 1999)1.19 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00>1.1 (estimated)1.19 g/mL at 25 °C (lit.)
Color/Form	Crystalline, fused, grayish-white solid (commercial product)LEAVES FROM ALCOHOL
용해도	less than 1 mg/mL at 68 °F (NTP, 1992)SOL IN HOT ALCOHOLSPARINGLY SOL IN WATER, SOL IN ETHANOL & DILUTE ACIDSSolubility in water, g/100ml at 25 °C: 0.095 (very poor)클로로포름(약간 용해됨), 메탄올(약간 용해됨)
인화점	320 °F (NTP, 1992)99 °C c.c.211 °F
끓는 점	466 °F at 760 mmHg (NTP, 1992)241 °C @ 760 MM HG241 °C (lit.)
녹는점	72 °F (NTP, 1992)30 °C29-30 °C24-27 °C (lit.)
증기 밀도	Relative vapor density (air = 1): 4.9
증기압	0.04 [mmHg]Vapor pressure, Pa at 25 °C: 5.5
굴절률	INDEX OF REFRACTION: 1.5848 @ 20 °C/DMAX ABSORPTION (METHANOL): 296 NM (E= 180), 242 NM (E= 939)n20/D 1.583(lit.)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	물에 거의 녹지 않음
pKa(산도 계수)	pK1:3.385(+1) (25°C)
물리적 상태	solid
색상	White or colorless to Brown
BRN	878505
헨리 상수	4.9×100 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	공기에 민감한
주요 응용	청소용품화장품환경음식 및 음료개인 위생 관리
InChI	1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey	CXNVOWPRHWWCQR-UHFFFAOYSA-N
SMILES	Cc1cc(Cl)ccc1N
NIST	Benzenamine, 4-chloro-2-methyl-(95-69-2)
EPA	4-Chloro-2-methylaniline (95-69-2)

화학적 성질

clear brown liquid

안전 및 규제

GHS 분류	DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]
규제 정보	Chemical: Benzenamine, 4-chloro-2-methyl-Hazard Traits - CarcinogenicityS - indicates a substance that is identified in a final Significant New Use Rule.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - Benzenamine, 4-chloro-2-methyl- and its hydrochloride: Human health tier II assessment
운송 라벨(DOT)	Poison
화재 위험	Special Hazards of Combustion Products: Toxic oxides of nitrogen and hydrochloric acid fumes may form. (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	Inhalation, ingestion, or skin contact causes bluish tint in fingernails, lips, and ears. Headache, drowsiness, and nausea also occur. Contact with eyes causes irritation. (USCG, 1999)
유해성 요약	4-Chloro-2-toluidine is known to cause methemoglobinemia in humans. Two of three cohort studies showed high relative risks for workers exposed to this chemical in dye and chlordimeform production. [IARC] Induces genetic damage in germ cells of humans or animals (3A)[MAK]
반응성 그룹	Aryl Halides
EC 분류	Symbol: T, NR: 45-23/24/25-68-50/53S: 53-45-61-60
UN 분류	UN Hazard Class: 6.1UN Pack Group: III
Special Reports	National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. p-Chloro-o-toluidine (95-69-2) and p-Chloro-o-toluidine Hydrochloride are listed as reasonably anticipated to be human carcinogens. /p-Chloro-o-toluidine and p-Chloro-o-toluidine Hydrochloride/[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s043pcot.pdf]

용도

4-Chloro-2-methylaniline may be used in the synthesis of the following:2,8-dichloro-4,10-dimethyl-6H,12H-5,11-methanodibenzo[b,f]-diazocine via reaction with paraformaldehyde in tolueneN-allylated derivative via palladium-catalyzed selective monoallylation with allyl alcoholN-(4-chloro-2-methylphenyl)benzamide via reaction with benzoyl chloride

일반 설명

Gray to white solid with a weak fishy odor. Sinks in water. Freezing point is 77°F.