아세트산,2-[[(트리플루오로메틸)술포닐]옥시]-,메틸에스테르

2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl ester

HCID 11229773

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 88016-31-3
표준 SMILES: COC(=O)COS(=O)(=O)C(F)(F)F
InChIKey: PPYPHCLFWPCGAU-UHFFFAOYSA-N
분자식: C4H5F3O5S
평균 분자량: 222.14 g/mol
단동위원소 질량: 221.98097892

이름 및 식별자

우선 이름: 2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl ester
IUPAC: methyl 2-(trifluoromethylsulfonyloxy)acetate
현지명: 아세트산,2-[[(트리플루오로메틸)술포닐]옥시]-,메틸에스테르
영어명: Acetic acid, 2-[[(trifluoroMethyl)sulfonyl]oxy]-, Methyl ester
분자식: C4H5F3O5S
분자량: 222.14

이름 및 동의어

2-[[(Trifluoromethyl)sulfonyl]oxy]acetic acid methyl ester2-(((Trifluoromethyl)sulfonyl)oxy)acetic acid methyl esterRefChem:447203863-449-988016-31-3Methyl 2-(((trifluoromethyl)sulfonyl)oxy)acetateMFCD23134700Methyl 2-(trifluoromethylsulfonyloxy)acetatemethyl 2-(trifluoromethanesulfonyloxy)acetateMethyl trifluoromethylsulfonyloxyacetateSY277070Acetic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

이름 더 보기

아세트산,2-[[(트리플루오로메틸)술포닐]옥시]-,메틸에스테르

D70818Methyl2-(((trifluoromethyl)sulfonyl)oxy)acetateMethyl 2-[[(Trifluoromethyl)sulfonyl]oxy]acetateAcetic acid, [[(trifluoromethyl)sulfonyl]oxy]-, methyl esterTfO-CH2COOMeC4H5F3O5SSCHEMBL1509202Acetic acid, [[(trifluoromethyl

데이터베이스 식별자

CAS: 88016-31-3
PubChem CID: 11229773
DTXSID: DTXSID10459449
EC Number: 863-449-9
Nikkaji: J3.054.932E

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 273

물리화학적 성질

끓는 점: 191.2 · 191.2±40.0 °C(Predicted)
밀도: 1.566 · 1.566±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, 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.