에틸3-메톡시-4,4,4-트리플루오로-2-부테노에이트

3-Methoxy-4,4,4-trifluoro-2-butenoic acid ethyl ester

HCID 2758867CAS 26717-84-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C=C(OC)C(F)(F)F
InChIKey: WLLCYFXBJYFXQQ-UHFFFAOYSA-N
분자식: C7H9F3O3
평균 분자량: 198.14 g/mol

이름 및 식별자

우선 이름: 3-Methoxy-4,4,4-trifluoro-2-butenoic acid ethyl ester
IUPAC: ethyl 4,4,4-trifluoro-3-methoxybut-2-enoate
현지명: 에틸3-메톡시-4,4,4-트리플루오로-2-부테노에이트
영어명: Ethyl 3-methoxy-4,4,4-trifluoro-2-butenoate
분자식: C7H9F3O3
분자량: 198.14

이름 및 동의어

26717-84-03-methoxy-4,4,4-trifluoro-2-butenoic acid ethyl esterRefChem:503108675-246-0Ethyl 3-Methoxy-4,4,4-trifluoro-2-butenoateEthyl (Z)-4,4,4-trifluoro-3-methoxy-but-2-enoateEthyl 3-methoxy-3-trifluoromethylacrylateSCHEMBL5212449ethyl 3-methoxy-4,4,4-trifluoro-2-buteneoateethyl 4,4,4-trifluoro-3-methoxy-but-2-enoate4,4,4-Trifluoro-3-methoxy-but-2-enoic acid ethyl ester에틸3-메톡시-4,4,4-트리플루오로-2-부테노에이트

이름 더 보기

4-(Methanesulfonyl)ethylsuccinimidylETHYL 4,4,4-TRIFLUORO-3-METHOXYBUT-2-ENOATEEthyl 4,4,4-trifluoro-3-methoxy-2-butenoateethyl (E/Z)-4,4,4-trifIuoro-3-methoxybut-2-enoate3-METHOXY-4,4,4-TRIFLUOROCROTONIC ACID ETHYL ESTER2-BUTENOIC ACID, 4,4,4-TRIFLUORO-3-METHOXY-, ETHYL ESTER(Z)-4,4,4-trifluoro-3-methoxy-2-butenoic acid ethyl ester2-Butenoicacid,4,4,4-trifluoro-3-methoxy-,ethylester,(2E)-

데이터베이스 식별자

CAS: 26717-84-0
PubChem CID: 2758867
EC Number: 675-246-0

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 48 °C · 48 °C
밀도: 1.21 · 1.210±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

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 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.