4-클로로벤질이소시아네이트97

1-Chloro-4-(isocyanatomethyl)benzene

HCID 3372379

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 30280-44-5
표준 SMILES: O=C=NCc1ccc(Cl)cc1
InChIKey: OAXSVEFCBLZGCA-UHFFFAOYSA-N
분자식: C8H6ClNO
평균 분자량: 167.59 g/mol
단동위원소 질량: 167.0137915

이름 및 식별자

우선 이름: 1-Chloro-4-(isocyanatomethyl)benzene
IUPAC: 1-chloro-4-(isocyanatomethyl)benzene
현지명: 4-클로로벤질이소시아네이트97
영어명: 4-Chlorobenzyl isocyanate 97
분자식: C8H6ClNO
분자량: 167.59

이름 및 동의어

1-chloro-4-(isocyanatomethyl)benzeneRefChem:431384626-062-44-Chlorobenzyl isocyanate30280-44-5Benzene, 1-chloro-4-(isocyanatomethyl)-MFCD040399104-chlorobenzylisocyanate4-chloro-benzylisocyanate4-chloro benzyl isocyanate4-Chloro-benzyl isocyanate4-Chlorophenylmethylisocyanate

이름 더 보기

4-클로로벤질이소시아네이트974-Chlorobenzyl isocyanate 974-Chlorobenzyl isocyanate 97%-chloro-4-(isocyanatomethyl)benzene

SCHEMBL1517394-Chlorobenzyl isocyanate, 97%DTXSID10391895OAXSVEFCBLZGCA-UHFFFAOYSA-N1-Chloro-4-isocyanatomethyl-benzeneAKOS005208468SY204867DB-126871

데이터베이스 식별자

CAS: 30280-44-5
PubChem CID: 3372379
DTXSID: DTXSID10391895
EC Number: 626-062-4

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

끓는 점: 233 · 233-234 °C(lit.)
밀도: 1.265 g/mL · 1.265 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5460(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C8H6ClNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey: OAXSVEFCBLZGCA-UHFFFAOYSA-N
SMILES: Clc1ccc(CN=C=O)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN 2206PSN2C 6.1 / PGIII
risk_code: 20/21/22-36/37/38-42
hazard_code: Xn
safety_code: 23-26-36
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects