2-클로로-5-(트리플루오로메틸)벤젠술포닐염화물

2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride

HCID 2734274

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54090-08-3
표준 SMILES: O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1Cl
InChIKey: ZEYKLMDPUOVUCR-UHFFFAOYSA-N
분자식: C7H3Cl2F3O2S
평균 분자량: 279.06 g/mol
단동위원소 질량: 277.91829036

이름 및 식별자

우선 이름: 2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC: 2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride
현지명: 2-클로로-5-(트리플루오로메틸)벤젠술포닐염화물
영어명: 2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3Cl2F3O2S
분자량: 279.06

이름 및 동의어

2-Chloro-5-(Trifluoromethyl)Benzene-1-Sulfonyl ChlorideRefChem:469263670-845-354090-08-32-chloro-5-(trifluoromethyl)benzenesulfonyl ChlorideMFCD000523102-chloro-5-(trifluoromethyl)benzenesulphonylchloride2-chloro-5-(trifluoromethyl)benzenesulfonylchlorideAKOS0010445402-chloro-5-(trifluoromethyl)- benzenesulfonyl chloride2-chloro-5-(trifluoromethyl)benzenesulfonyl chloride, AldrichCPRchloro[2-chloro-5-(trifluoromethyl)phenyl]sulfone

이름 더 보기

2-클로로-5-(트리플루오로메틸)벤젠술포닐염화물BUTTPARK 83\07-13TIMTEC-BB SBB0058224-Chloro-3-(chlorosulphonyl)benzotrifluoride2-Chloro-5-(trifluoromethyl)benzenesulfonyl]Benzenesulfonyl chloride, 2-chloro-5-(trifluoromethyl)-2-Chloro-5-(trifluoromethyl)benzenesulfonyl chloride,98%

2-chloro-5-trifluoromethylbenzenesulfonyl chlorideSCHEMBL67766SCHEMBL29683114DTXSID80370192SBB005822CS-W012288AS-30433SY061753

데이터베이스 식별자

CAS: 54090-08-3
PubChem CID: 2734274
DTXSID: DTXSID80370192
EC Number: 670-845-3

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 322

물리화학적 성질

끓는 점: 76 · 76-78 °C (0.6 mmHg)
밀도: 1.626 · 1.626±0.06 g/cm3(Predicted)
굴절률: 1.508 · 1.508-1.51
인화점: 117 · 117-119°C/1.0mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
InChI: 1S/C7H3Cl2F3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChIKey: ZEYKLMDPUOVUCR-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(Cl)c(c1)S(Cl)(=O)=O

화학적 성질

clear light yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.