3,5-Bis(trifluoromethyl)benzenesulphonyl chloride

HCID 520945

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39234-86-1
표준 SMILES: O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: BTRCVKADYDVSLI-UHFFFAOYSA-N
분자식: C8H3ClF6O2S
평균 분자량: 312.62 g/mol
단동위원소 질량: 311.94464734

이름 및 식별자

우선 이름: 3,5-Bis(trifluoromethyl)benzenesulphonyl chloride
IUPAC: 3,5-bis(trifluoromethyl)benzenesulfonyl chloride
영어명: 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride
분자식: C8H3ClF6O2S
분자량: 312.62

이름 및 동의어

39234-86-13,5-Bis(trifluoromethyl)benzenesulfonyl chloride3,5-Bis(trifluoromethyl)benzenesulphonyl chlorideBenzenesulfonyl chloride, 3,5-bis(trifluoromethyl)-YWQ46C98REEINECS 254-371-0DTXSID001924943,5-di(trifluoromethyl)benzenesulfonyl chlorideRefChem:486551DTXCID10114985254-371-03,5-Bis(Trifluoromethyl)Benzene-1-Sulfonyl Chloride

이름 더 보기

BIS(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE3,5-BIBUTTPARK 145\11-953,5-BIS(TRIFLUOROMETHYL)BENZENESULFONYL3,5-bis(trimethyl)benzenesulfonyl chloride3,5-BS(TRIFLUOROMETHYL)BENZENESULFONYL CHLOR3,5-DI(TRIFLUOROMETHYL)BENZENE SULPHONYL CHLORIDE

MFCD000147253,5-Di(trifluoromethyl)benzene sulfonyl chlorideUNII-YWQ46C98RE3,5-bis(trifluoromethyl)phenylsulfonyl chlorideSCHEMBL677423,5-Bis(trifluoromethyl)benzene-1-sulfonylchloride3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONYLCHLORIDECK1141

데이터베이스 식별자

CAS: 39234-86-1
PubChem CID: 520945
DTXSID: DTXSID00192494
UNII: YWQ46C98RE
EC Number: 254-371-0
Nikkaji: J261.346H

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 373

물리화학적 성질

녹는점: 34 · 34-38 °C(lit.)
끓는 점: 70 °C · 70°C 2mm
밀도: 1.618 · 1.618±0.06 g/cm3(Predicted)
인화점: 228 °F · 228 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: powder to lump
색상: White to Orange to Green
BRN: 3621218 · 3621218
InChI: InChI=1S/C8H3ClF6O2S/c9-18(16,17)6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey: BTRCVKADYDVSLI-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
NIST: 3 · 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride(39234-86-1)

화학적 성질

White to Yellow crystal or powder

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 50 reports by companies from 4 notifications to the ECHA C&L Inventory.