2,2,2-Trifluoroethyl Methanesulfonate

HCID 556565

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25236-64-0
표준 SMILES: CS(=O)(=O)OCC(F)(F)F
InChIKey: ICECLJDLAVVEOW-UHFFFAOYSA-N
분자식: C3H5F3O3S
평균 분자량: 178.13 g/mol
단동위원소 질량: 177.99114968

이름 및 식별자

우선 이름: 2,2,2-Trifluoroethyl Methanesulfonate
IUPAC: 2,2,2-trifluoroethyl methanesulfonate
영어명: 2,2,2-Trifluoroethyl methanesulfonate
분자식: C3H5F3O3S
분자량: 178.13

이름 및 동의어

2,2,2-Trifluoroethyl methanesulfonate25236-64-0Ethanol, 2,2,2-trifluoro-, 1-methanesulfonateICECLJDLAVVEOW-UHFFFAOYSA-DTXSID20339501RefChem:80808DTXCID20290582607-659-9ICECLJDLAVVEOW-UHFFFAOYSA-NInChI=1/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H32,2,2-trifluoromethyl mesylateMFCD00025058

이름 더 보기

Tresylklorid2,2,2-Trifluoro-ethanol 1-mesylate5,5,5-trifluoro-2-methylenepentanoate2,2,2-TrifluoroethylMethanesulfonate>2,2,2-Trifluoroethylmethanesulphonate98%2,2,2-Trifluoroethyl methanesulphonate 98%

Methanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-trifluoroethyl methanesulphonate2,2,2-trifluoroethyl mesylate2,2,2-trifluoroethyl methylsulfonate2,2,2-Trifluoro-ethanol 1-methanesulfonateCF3CH2OSO2CH3SCHEMBL796831SBB089376

데이터베이스 식별자

CAS: 25236-64-0
PubChem CID: 556565
DTXSID: DTXSID20339501
EC Number: 607-659-9
Nikkaji: J1.222.500H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 99 °C · 99 °C / 35mmHg
밀도: 1.513 g/mL · 1.513 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.367
인화점: 103 °C · 103°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
Specific Gravity: 1.52 · 1.520
색상: 무색~연황색
BRN: 1863049 · 1863049
InChI: InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKey: ICECLJDLAVVEOW-UHFFFAOYSA-N
SMILES: C(OS(C)(=O)=O)C(F)(F)F

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H332 (39.4%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.