4-클로로-2-메틸렌이소시아네이트

4-Chloro-2-methylphenyl isocyanate

HCID 142157CAS 37408-18-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(Cl)ccc1N=C=O
InChIKey: FTZJLXIATZSKIL-UHFFFAOYSA-N
분자식: C8H6ClNO
평균 분자량: 167.59 g/mol
단동위원소 질량: 167.01379149

이름 및 식별자

우선 이름: 4-Chloro-2-methylphenyl isocyanate
IUPAC: 4-chloro-1-isocyanato-2-methylbenzene
현지명: 4-클로로-2-메틸렌이소시아네이트
영어명: 4-Chloro-2-methylphenyl isocyanate
분자식: C8H6ClNO
분자량: 167.59

이름 및 동의어

4-Chloro-2-methylphenyl isocyanate37408-18-74-Chloro-o-tolyl isocyanateDTXSID70190846RefChem:98387DTXCID10113337632-243-9FTZJLXIATZSKIL-UHFFFAOYSA-N4-Chloro-1-isocyanato-2-methylbenzene4-CHLORO-2-METHYLPHENYLISOCYANATEBenzene, 4-chloro-1-isocyanato-2-methyl-MFCD00019914

이름 더 보기

4-클로로-2-메틸렌이소시아네이트4-Chloro-1-isocyanato-2-methyl-benzen4-Chloro-2-methylphenyl isocyanate-98%4-CHLORO-2-METHYLPHENYL ISOCYANATE 97%

4-Chloro-1-isocyanato-2-methyl-benzeneSCHEMBL7017434-chloro-2-methylbenzenisocyanateALBB-021393GEO-03253AKOS0158892614-Chloro-1-isocyanato-2-methylbenzene #BP-20159

데이터베이스 식별자

CAS: 37408-18-7
PubChem CID: 142157
DTXSID: DTXSID70190846
EC Number: 632-243-9
Nikkaji: J267.287A

물성

구조 계산 물성

XLogP: 4
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 36 · 36-40 °C(lit.)
끓는 점: 103 °C · 103°C 13mm
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
BRN: 2803097 · 2803097

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (90.5%)

안전 데이터

wgk: 3
ridadr: 2206
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-26-36
포장분류: III
위험 등급: 6.1

화학 및 산업

응용 분야

용도4-Chloro-1-isocyanato-2-methylbenzene is an intermediate used in the preparation of chloromethylphenylcarbamate derivatives of cellulose for use as stationary phases of high-performance liquid chromatography.