에틸2-메틸-3-하이드록시-4,4,4-트리플루오로부티레이트

Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate

HCID 533787

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 649-56-9
표준 SMILES: CCOC(=O)C(C)C(O)C(F)(F)F
InChIKey: MFRIOKNLYRUYHP-UHFFFAOYSA-N
분자식: C7H11F3O3
평균 분자량: 200.16 g/mol
단동위원소 질량: 200.06602887

이름 및 식별자

우선 이름: Ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate
IUPAC: ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
현지명: 에틸2-메틸-3-하이드록시-4,4,4-트리플루오로부티레이트
영어명: ETHYL 2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATE
분자식: C7H11F3O3
분자량: 200.16

이름 및 동의어

91600-33-8ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrateRefChem:594970670-546-8Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrateEthyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate649-56-9MFCD00190634ETHYL2-METHYL-3-HYDROXY-4,4,4-TRIFLUOROBUTYRATESCHEMBL5704673DTXSID00336437SBB092570

이름 더 보기

에틸2-메틸-3-하이드록시-4,4,4-트리플루오로부티레이트Ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutyrateEthyl2-methyl-3-hydroxy-4,4,4-trifluorobutyrate95%2-ethyl-4,4,4-trifluoro-3-hydroxy-2-methylbutanoateEthyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate 95%3-hydroxy-2-methyl-4,4,4-trifluorobutyric acid ethyl ester4,4,4-Trifluoro-3-Hydroxy-2-Methyl-Butanoic Acid Ethyl EsterButanoic acid, 4,4,4-trifluoro-3-hydroxy-2-methyl-, ethyl esterEthyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate~3-Hydroxy-2-methyl-4,4,4-trifluorobutyric acid ethyl ester

AKOS006223453DB-057264CS-0361553ST50825444ethyl 2-methyl-4,4,4-trifluoro-3-hydroxybutyrateF752975ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutanoateethyl 4,4,4-trifluoro-3-hydroxy-2-methyl-butanoate

데이터베이스 식별자

CAS: 649-56-9、91600-33-8
PubChem CID: 533787
DTXSID: DTXSID00336437
EC Number: 670-546-8
Nikkaji: J589.508A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 178

물리화학적 성질

끓는 점: 180 °C · 180 °C
밀도: 1.233 · 1.233±0.06 g/cm3(Predicted)
인화점: 180 · 180-184°C
산도 계수 (pKa): 11.73 · 11.73±0.20(Predicted)
BRN: 6194166 · 6194166

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.