Benzenesulfonyl isocyanate, 2-chloro- (HCID 174071)

이름 및 식별자

우선 이름: Benzenesulfonyl isocyanate, 2-chloro-
IUPAC: 2-chloro-N-(oxomethylidene)benzenesulfonamide
영어명: 2-Chlorobenzenesulfonyl isocyanate
분자식: C7H4ClNO3S
분자량: 217.63

이름 및 동의어

64900-65-82-Chlorobenzenesulfonyl isocyanateBenzenesulfonyl isocyanate, 2-chloro-DTXSID9073595RefChem:565067DTXCID7044394622-961-02-chlorobenzenesulfonylisocyanate2-Chlorobenzensulfonyl isocyanate2-chloro-N-(oxomethylidene)benzenesulfonamide2-chlorobenzene-1-sulfonyl isocyanate2-chlorophenylsulfonyl isocyanate

이름 더 보기

2-Chlorobenzenesulfonyl2-Chlorobenzenesulfonl isocyanateo-chloro benzene sulfonylisocyanate2-Chlorobenzenesulfonyl isocyanate 90%

1-Chloro-2-isocyanatosulfonylbenzene2-chlorophenylsulfonylisocyanateSCHEMBL1124590o-Chlorophenylsulfonyl isocyanateo-chlorobenzenesulfonyl isocyanateMFCD00037078AKOS0159011662-Chlorobenzenesulfonyl isocyanate, 90%

데이터베이스 식별자

CAS: 64900-65-8
PubChem CID: 174071
DTXSID: DTXSID9073595
EC Number: 622-961-0
Nikkaji: J314.990K

물성

구조 계산 물성

XLogP: 2.5
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: 315

실험 및 물리화학적 성질

Physical DescriptionCBI

물리화학적 성질

끓는 점: 285 °C · 285 °C (lit.)
밀도: 1.484 g/mL · 1.484 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.559(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C7H4ClNO3S/c8-6-3-1-2-4-7(6)13(11,12)9-5-10/h1-4H
InChIKey: LALCDSDHLXWTTL-UHFFFAOYSA-N
SMILES: Clc1ccccc1S(=O)(=O)N=C=O
EPA: 2 · Benzenesulfonyl isocyanate, 2-chloro- (64900-65-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Benzenesulfonyl isocyanate, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonyl isocyanate, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 1
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesIntermediates

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzenesulfonyl isocyanate, 2-chloro-: ACTIVE

응용 분야 · 2건

용도2-Chlorobenzenesulfonyl isocyanate may be used in the synthesis of N-thiazolyl-N′-(2-chlorobenzenesulfonyl)urea derivatives and N-(2-chlorophenylsulfonyl)-N′-(4-methoxy-6-methyl-triazin-2-yl)urea.

일반 설명2-Chlorobenzenesulfonyl isocyanate is an aryl isocyanate that can be synthesized by the catalytic carbonylation of potassium N,2- dichlorobenzenesulfonamidate in acetonitrile. The C-acylation of nitrogen bearing heterocycles using 2-chlorobenzenesulfonyl isocyanate has been reported.