4-Chlorobenzenesulfonyl isocyanate

HCID 138587CAS 5769-15-3

기본 정보

표준 SMILES: O=C=NS(=O)(=O)c1ccc(Cl)cc1
InChIKey: JGHDVROWMPBQSR-UHFFFAOYSA-N
분자식: C7H4ClNO3S
평균 분자량: 217.63 g/mol
단동위원소 질량: 216.96004167

이름 및 식별자

우선 이름: 4-Chlorobenzenesulfonyl isocyanate
IUPAC: 4-chloro-N-(oxomethylidene)benzenesulfonamide
영어명: 4-Chlorobenzenesulfonyl isocyanate
분자식: C7H4ClNO3S
분자량: 217.63

이름 및 동의어

4-Chlorobenzenesulfonyl isocyanatep-Chlorobenzenesulfonyl isocyanateDTXSID60206389RefChem:292104DTXCID10128880623-562-4JGHDVROWMPBQSR-UHFFFAOYSA-N5769-15-34-chloro-N-(oxomethylidene)benzenesulfonamideMFCD000099784-chlorobenzensulfonyl isocyanate(4-chlorophenyl)sulfonylisocyanate

이름 더 보기

CPSl4-Chlorophenylsulfonyl isocyanate4-CHLOROBENZENESULPHONYL ISOCYANATE(4-Chlorophenylsulfonyl) isocyanate4-Chlorobenzenesulfonylisocyanate,97%4-CHLOROBENZENESULFONYL ISOCYANATE 97%4-Chlorobenzenesulphonyl isocyanate-97%

4-Chlorobenzenesulfonylisocyanate4-chlorobenzene-1-sulfonyl isocyanatep-chlorophenylsulfonylisocyanatep-chlorobenzenesulfonylisocyanateSCHEMBL1125078p-chlorophenylsulfonyl isocyanate4-chlorbenzenesulfonyl isocyanate4-chlorobenzene sulfonylisocyanate

데이터베이스 식별자

CAS: 5769-15-3
PubChem CID: 138587
DTXSID: DTXSID60206389
EC Number: 623-562-4
Nikkaji: J150.092I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 72 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 307

물리화학적 성질

끓는 점: 121 °C/0.5 · 121 °C/0.5 mmHg (lit.)
밀도: 1.457 g/mL · 1.457 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.558(lit.)
인화점: 230 °F · >230 °F
저장 조건: Refrigerator (+4°C) + Flammables area
BRN: 516520 · 516520
InChI: 1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H
InChIKey: JGHDVROWMPBQSR-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)S(=O)(=O)N=C=O
NIST: 4 · 4-Chlorobenzenesulfonyl isocyanate(5769-15-3)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 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 3265 8/PG 1
HS 번호: 29350090
risk_code: 20/21/22-34-10
hazard_code: C
safety_code: 26-27-36/37/39-45-25-16
포장분류: II
위험 등급: 8
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials