4-클로로-N-메틸아닐린

4-Chloro-N-methylbenzenamine

HCID 70272CAS 932-96-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNc1ccc(Cl)cc1
InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N
분자식: C7H8ClN
평균 분자량: 141.6 g/mol
단동위원소 질량: 141.03452694

개요

RN given refers to parent cpd; structure

이름 및 식별자

우선 이름: 4-Chloro-N-methylbenzenamine
IUPAC: 4-chloro-N-methylaniline
현지명: 4-클로로-N-메틸아닐린
영어명: 4-Chloro-N-methylaniline
분자식: C7H8ClN
분자량: 141.6

이름 및 동의어

4-Chloro-N-methylaniline932-96-7p-Chloro-N-methylanilineN-Methyl-p-chloroanilineBenzenamine, 4-chloro-N-methyl-4-Chloro-N-methylbenzenamine2IXY9JA2P8DTXSID80239331RefChem:98535DTXCID00161822213-262-8N-Methyl-4-chloroaniline

이름 더 보기

4-클로로-N-메틸아닐린4-CHLORO-N-TOLUIDINECHLORO-N-METHYLANILINEp-chloro-n-methyl-anilinMethyl(4-chlorophenyl)amine

N-(p-Chlorobenzyl)methylamineAniline, p-chloro-N-methyl-N-(4-Chlorophenyl)-N-methylaminep-(Methylamino)chlorobenzeneMFCD00000614n-(4-chlorophenyl)methylamineCCRIS 2889EINECS 213-262-8

데이터베이스 식별자

CAS: 932-96-7
PubChem CID: 70272
DTXSID: DTXSID80239331
UNII: 2IXY9JA2P8
EC Number: 213-262-8
Nikkaji: J28.357F

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

물리화학적 성질

끓는 점: 239 °C · 239 °C (lit.)
밀도: 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.584(lit.)
인화점: 125 °F · 125 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1 · pK1: 3.9(+1) (25°C)
물리적 상태: liquid
BRN: 2205846 · 2205846
InChI: InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N
SMILES: C1(NC)=CC=C(Cl)C=C1
NIST: 4 · Benzenamine, 4-chloro-N-methyl-(932-96-7)

화학적 성질

clear yellow to yellow-brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.