(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonate

HCID 24809749

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 960249-70-1
표준 SMILES: Cc1ccc(S(=O)(=O)OCC2(C(F)(F)F)CO2)cc1
InChIKey: JNMFJRRMXRUZKR-UHFFFAOYSA-N
분자식: C11H11F3O4S
평균 분자량: 296.26 g/mol

이름 및 식별자

우선 이름: (2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonate
IUPAC: [2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate
영어명: no data
분자식: C11H11F3O4S
분자량: 296.26

이름 및 동의어

960249-70-1[2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate(2-(Trifluoromethyl)oxiran-2-yl)methyl 4-methylbenzenesulfonateRefChem:395210835-101-6MFCD32012214SCHEMBL476815[2-(trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzene-1-sulfonateAKOS034834149MS-20828[2-(Trifluoromethyl)-2-oxiranyl]methyl 4-methylbenzenesulfonate[2-(Trifluoromethyl)oxiran-2-yl]methyl4-methylbenzenesulfonate

이름 더 보기

no data2-(Trifluoromethyl)oxiran-2-yl]methyl 4-methylbenzenesulfonate2-Oxiranemethanol, 2-(trifluoromethyl)-, 2-(4-methylbenzenesulfonate)

데이터베이스 식별자

CAS: 960249-70-1
PubChem CID: 24809749
EC Number: 835-101-6
Nikkaji: J2.619.779A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 64.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 420

물리화학적 성질

끓는 점: 372.1 · 372.1±37.0 °C(Predicted)
밀도: 1.44 · 1.440±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+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.