3-Chloro-2-methylaniline

3-CHLORO-O-TOLUIDINE · 3-CHLORO-ORTHO-TOLUIDINE · 3-chloro-2-methylbenzenamine · 2-AMINO-6-CHLOROTOLUENE · 2-Methyl-3-chloroaniline · 3-Chloro-2-methylphenylamine · 6COT · 3COT

https://huagongshe.com/ko/chemical/6894

식별자 및 물리적 특성

CAS No.	87-60-5
분자식	C7H8ClN
평균 분자량	141.6 g/mol
단동위원소 질량	141.03452694 g/mol
SMILES	Cc1c(N)cccc1Cl
InChIKey	ZUVPLKVDZNDZCM-UHFFFAOYSA-N
PubChem CID	6894
ChEMBL	CHEMBL1570069
EC No.	201-756-6
DTXSID	DTXSID3024815

화학 및 물리적 성질

XLogP	3
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, Aromatic
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
Color/Form	LIQUID
용해도	SOL IN HOT WATERINSOL IN ETHER & BENZENESOL IN ALCOHOL4.5g/L
끓는 점	245 °C @ 760 MM HG115-117 °C/10 mmHg (lit.)
녹는점	O-2 °C2 °C (lit.)
증기압	0.04 [mmHg]
굴절률	INDEX OF REFRACTION: 1.5880 @ 20 °Cn20/D 1.588(lit.)
Physical Description	Liquid[HSDB] Yellow or brown liquid[MSDSonline]
밀도	1.185 g/mL at 25 °C (lit.)
인화점	>230 °F
저장 조건	Store below +30°C.
물리적 상태	액체
pKa(산도 계수)	pK1:2.49(+1) (25°C)
비중	1.19
색상	투명한 노란색에서 빨간색 또는 적갈색
용해도	1g/L at 20℃
BRN	471697
헨리 상수	6.3×100 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKey	ZUVPLKVDZNDZCM-UHFFFAOYSA-N
SMILES	Cc1c(N)cccc1Cl
LogP(분배 계수)	2.4
NIST	Benzenamine, 3-chloro-2-methyl-(87-60-5)
EPA	3-Chloro-2-methylaniline (87-60-5)

화학적 성질

clear yellow to red or red-brown liquid

안전 및 규제

GHS 분류	DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 163 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzenamine, 3-chloro-2-methyl-Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/117632-Amino-6-chlorotoluene: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A mutagen[RTECS] Emergency treatment: methemoglobinemia[HSDB] An irritantMay induce methemoglobinemia[MSDSonline]
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
환경 거동	TERRESTRIAL FATE: When released to soil, 3-chloro-2-methylphenylamine may undergo a covalent chemical bonding with humic materials which can result in its chemical alteration to a latent form and tight adsorption. When covalently bound in this latent form, leaching in soil systems is not generally expected to occur. This covalent bonding proceeds in two stepsa rapid and reversible bonding followed by a slower and much less reversible reaction(1). Leaching in soil may be possible prior to the occurrence of the slower bonding reaction. In the absence of covalent bonding, moderate leaching may be possible. Insufficient data are available to assess the relative importance of biodegradation of 3-chloro-2-methylphenylamine in soil(SRC).By analogy to similar chloroanilines(1), 3-chloro-2-methylphenylamine may undergo covalent bonding with humic materials in the water column and in sedimentpartitioning from the water column to sediment and suspended material may therefore be important. Also by analogy to the similar structures(2-4), 3-chloro-2-methylphenylamine in the water column may be susceptible to photooxidation (via hydroxyl and peroxy radicals) and direct photolysis. Insufficient data are available to assess the relative importance of biodegradation of 3-chloro-2-methylphenylamine in water. Aquatic hydrolysis, volatilization, and bioconcentration do not appear to be environmentally important(SRC).

용도

Intermediate.

제조 및 합성 방법

제조 방법

By 1-Methyl-2-nitrobenzene chlorination byproducts 3-Chloro-2-methylbenzenaminereduction.