기본 정보
- CAS
254749-11-6- 표준 SMILES
N#Cc1ccc(S(=O)(=O)Cl)c(Cl)c1- InChIKey
GNJOWOAPHOFJBW-UHFFFAOYSA-N- 분자식
- C7H3Cl2NO2S
- 평균 분자량
- 236.07 g/mol
- 단동위원소 질량
- 234.9261549
이름 및 식별자
- 우선 이름
- 2-Chloro-4-cyanobenzene-1-sulfonyl chloride
- IUPAC
- 2-chloro-4-cyanobenzenesulfonyl chloride
- 현지명
- 2-클로로-4-시아노벤젠설포닐염화물
- 영어명
- 2-CHLORO-4-CYANOBENZENESULFONYL CHLORIDE
- 분자식
- C7H3Cl2NO2S
- 분자량
- 236.08
이름 및 동의어
2-Chloro-4-Cyanobenzene-1-Sulfonyl ChlorideRefChem:468938626-290-4254749-11-62-Chloro-4-cyanobenzenesulfonyl chlorideMFCD00177089C7H3Cl2NO2S2-chloro-4-cyano-benzenesulfonyl ChlorideBenzenesulfonyl chloride, 2-chloro-4-cyano-SCHEMBL1020883DTXSID10370903AMY3122
이름 더 보기
2-클로로-4-시아노벤젠설포닐염화물BUTTPARK 96\50-273-Chloro-4-(chlorosulphonyl)benzonitrile2-Chloro-4-cyanobenzenesulfonyl chloride 96%2-Chloro-4-cyanobenzenesulphonyl chloride, 95%+Benzenesulfonyl chloride, 2-chloro-4-cyano- (9CI)
2-Chloro-4-cyanobenzenesulphonyl chlorideGNJOWOAPHOFJBW-UHFFFASCHEMBL29948706GNJOWOAPHOFJBW-UHFFFAOYSA-NEKA74911SBB066476AKOS0052546102-chloro-4-cyanobenzene sulfonyl chloride
데이터베이스 식별자
- CAS
254749-11-6- PubChem CID
- 2735722
- DTXSID
DTXSID10370903- EC Number
- 626-290-4
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 66.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 326
물리화학적 성질
- 녹는점
- 102 · 102-106 °C
- 끓는 점
- 348.9 · 348.9±32.0 °C(Predicted)
- 밀도
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- solid
- InChI
- 1S/C7H3Cl2NO2S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3H
- InChIKey
- GNJOWOAPHOFJBW-UHFFFAOYSA-N
- SMILES
- Clc1cc(ccc1S(Cl)(=O)=O)C#N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (88.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)；Acute Tox. 4 (11.1%)；Skin Corr. 1B (100%)；Skin Sens. 1 (88.9%)；Acute Tox. 4 (11.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1759 8/PG 3
- HS 번호
- 2926907090
- risk_code
- 34-43
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 위험 참고 사항
- Irritant
화학 및 산업
응용 분야
용도2-Chloro-4-cyanobenzenesulfonyl Chloride is used in preparation of Hydroxysulfonyloxaazaspirodecanylaminopropoxybenzenesulfonamide derivatives for use as beta-3 Adrenergic receptor modulators.
공급사47 곳
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…