4-트리플루오로메틸벤질설포닐염화물

3-(Trifluoromethyl)phenylmethanesulfonyl chloride

HCID 2794646

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 127162-96-3
표준 SMILES: O=S(=O)(Cl)Cc1cccc(C(F)(F)F)c1
InChIKey: WIGCBGFBBRJTLS-UHFFFAOYSA-N
분자식: C8H6ClF3O2S
평균 분자량: 258.65 g/mol
단동위원소 질량: 257.9729128

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)phenylmethanesulfonyl chloride
IUPAC: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
현지명: 4-트리플루오로메틸벤질설포닐염화물
영어명: 3-Trifluoromethylbenzylsulfonyl chloride
분자식: C8H6ClF3O2S
분자량: 258.65

이름 및 동의어

3-(trifluoromethyl)phenylmethanesulfonyl chlorideRefChem:496413674-541-1127162-96-33-Trifluoromethylbenzylsulfonyl chloride[3-(trifluoromethyl)phenyl]methanesulfonyl Chloride(3-(Trifluoromethyl)phenyl)methanesulfonyl chlorideMFCD01631926benzenemethanesulfonyl chloride, 3-(trifluoromethyl)-(3-(Trifluoromethyl)phenyl)methanesulfonylchloride{[3-(trifluoromethyl)phenyl]methylsulfonyl chloride3-Trifluoromethylbenzylsulfonylchloride

이름 더 보기

4-트리플루오로메틸벤질설포닐염화물4-TRIFLUOROMETHYLBENZYLSULFONYL CHLORIDEromethyl)phenyl)methanesulfonyl chloride3-trifluoromethylbenzylsulfonyl chloride 97%3-(Trifluoromethyl)benzenemethanesulfonyl chloride([4-(TRIFLUOROMETHYL)PHENYL]METHYL)SULFONYLCHLORIDE(4-TRIFLUOROMETHYL-PHENYL)-METHANESULFONYL CHLORIDE[3-(Trifluoromethyl)phenyl]methanesulphonyl chloride

SCHEMBL682453-(TRIFLUOROMETHYL)BENZYLSULPHONYL CHLORIDE[[3-(TRIFLUOROMETHYL)PHENYL]METHYL]SULFONYLCHLORIDEDTXSID70383291AR2918GEO-02380SBB055017AKOS000132741

데이터베이스 식별자

CAS: 127162-96-3
PubChem CID: 2794646
DTXSID: DTXSID70383291
EC Number: 674-541-1

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 307

물리화학적 성질

녹는점: 173 °C · 173 °C
끓는 점: 283.18 · 283.180±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.507 · 1.507±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
인화점: 125 ℃ · 125℃
물리적 상태: solid
InChI: InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey: WIGCBGFBBRJTLS-UHFFFAOYSA-N
SMILES: C1(CS(Cl)(=O)=O)=CC=CC(C(F)(F)F)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 5 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.