Benzenesulfonyl isocyanate, 2-chloro-
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
64900-65-8- 표준 SMILES
O=C=NS(=O)(=O)c1ccccc1Cl- InChIKey
LALCDSDHLXWTTL-UHFFFAOYSA-N- 분자식
- C7H4ClNO3S
- 평균 분자량
- 217.63 g/mol
- 단동위원소 질량
- 216.96004167
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 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 72 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzenesulfonyl isocyanate, 2-chloro-: ACTIVE
응용 분야
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.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
50건
화합물 노트
불러오는 중…