CAS 145349-17-3 2-Fluoro-2-methylpropyl trifluoromethanesulfonate (HCID 12165534)

기본 정보

CAS: 145349-17-3
표준 SMILES: CC(C)(F)COS(=O)(=O)C(F)(F)F
InChIKey: OJFXAMILNHYNSV-UHFFFAOYSA-N
분자식: C5H8F4O3S
평균 분자량: 224.18 g/mol
단동위원소 질량: 224.01302793

이름 및 식별자

우선 이름: 2-Fluoro-2-methylpropyl trifluoromethanesulfonate
IUPAC: (2-fluoro-2-methylpropyl) trifluoromethanesulfonate
영어명: 2-Fluoro-2-Methylpropyl trifluoroMethanesulfonate
분자식: C5H8F4O3S
분자량: 224.17

이름 및 동의어

2-fluoro-2-methylpropyl trifluoromethanesulfonate145349-17-3RefChem:472190639-758-8Methanesulfonic acid, trifluoro-, 2-fluoro-2-methylpropyl esterMFCD20483378(2-fluoro-2-methylpropyl) trifluoromethanesulfonateSCHEMBL10672862-fluoro-2-methyl-propyltriflateTrifluoromethanesulfonic acid 2-fluoro-2-methylpropyl esterVFA34917AKOS028108846

이름 더 보기

OJFXAMILNHYNSV-UHFFFAOYSA-NMethanesulfonic acid, 1,1,1-trifluoro-, 2-fluoro-2-methylpropyl ester

AT13175SY284776DB-2280482-fluoro-2-methylpropyltrifluoromethanesulfonate2Fluoro-2-methylpropyl trifluoromethanesulfonateEN300-746684F837324(2-fluoro-2-methyl-propyl)trifluoromethanesulfonate

데이터베이스 식별자

CAS: 145349-17-3
PubChem CID: 12165534
EC Number: 639-758-8
Nikkaji: J1.974.012I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 260

물리화학적 성질

끓는 점: 80 °C · 80 °C(Press: 55-60 Torr)
밀도: 1.397 · 1.397±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C5H8F4O3S/c1-4(2,6)3-12-13(10,11)5(7,8)9/h3H2,1-2H3
InChIKey: OJFXAMILNHYNSV-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(OCC(F)(C)C)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.