CAS 175276-81-0 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile (HCID 2782434)

기본 정보

CAS: 175276-81-0
표준 SMILES: N#CCS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIKey: MXAFRLGCENSSSL-UHFFFAOYSA-N
분자식: C10H8F3NO2S
평균 분자량: 263.24 g/mol
단동위원소 질량: 263.02278416

이름 및 식별자

우선 이름: 2-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile
IUPAC: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrile
현지명: 3-(트리플루오로메틸)벤질술포닐아세토니트릴
영어명: 3-(Trifluoromethyl)benzylsulfonyl acetonitrile
분자식: C10H8F3NO2S
분자량: 263.24

이름 및 동의어

175276-81-02-(((3-(Trifluoromethyl)phenyl)methyl)sulfonyl)acetonitrile2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrileRefChem:2490532-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile3-(Trifluoromethyl)benzylsulfonyl acetonitrile2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetonitrileMFCD001738223-(trifluoromethyl)benzylsulphonyl acetonitrile2-(3-trifluoromethylphenylmethanesulphonyl)acetonitrile2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}acetonitrile3-trifluoromethylbenzylsulfonylacetonitrile

이름 더 보기

3-(트리플루오로메틸)벤질술포닐아세토니트릴3-(Trifluoromethyl)benzylsulphonylacetonitrile97%(3-Trifluoromethyl-^a-toluenesulfonyl)acetonitrile2-{[3-(trifluoromethyl)benzyl]sulfonyl}acetonitrile(3-TRIFLUOROMETHYLPHENYLMETHANESULFONYL)ACETONITRILEAcetonitrile, 2-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-

SCHEMBL1955265DTXSID90382084AKOS005257564FS-5403DB-044170ST51041639F008435(3-trifluoromethyl-phenylmethanesulfonyl)-acetonitrile

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 66.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 401

물리화학적 성질

녹는점: 119 °C · 119 °C
끓는 점: 416.1 · 416.1±45.0 °C(Predicted)
밀도: 1.41 · 1.410±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.