(2E)-3-[3-(트리플루오로메틸)페닐]-2-프로펜산메틸에스테르

Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate

HCID 5314585

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104201-66-3
표준 SMILES: COC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIKey: ZQAIZQSBGPNEEN-AATRIKPKSA-N
분자식: C11H9F3O2
평균 분자량: 230.18 g/mol
단동위원소 질량: 230.05546401

이름 및 식별자

우선 이름: Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate
IUPAC: methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
현지명: (2E)-3-[3-(트리플루오로메틸)페닐]-2-프로펜산메틸에스테르
영어명: (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid methyl ester
분자식: C11H9F3O2
분자량: 230.18

이름 및 동의어

104201-66-3Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoateMethyl (2E)-3-(3-(trifluoromethyl)phenyl)-2-propenoateRefChem:35294587087-35-2Methyl 3-(3-(trifluoromethyl)phenyl)acrylate3-(Trifluoromethyl)cinnamic acid methyl ester(E)-Methyl 3-(3-(trifluoromethyl)phenyl)acrylatemethyl (2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoateMethyl (E)-3-(3-(trifluoromethyl)phenyl)acrylatemethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoateCinacalcet Impurity 101

이름 더 보기

(2E)-3-[3-(트리플루오로메틸)페닐]-2-프로펜산메틸에스테르(E)-3-(Trifluoromethyl)cinnamic acid methyl ester(E)-Methyl 3-(3-(Trifluoromethyl)Phenyl)Acrylate(WXC02699)(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid methyl ester2-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, methyl ester, (2E)-

MFCD087047042-Propenoic acid, 3-[3-(trifluoromethyl)phenyl]-, methyl ester, (E)-AKOS017259730AS-72403CS-0037422Methyl (E)-3-[3-(Trifluoromethyl)phenyl]acrylateMethyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoateghl.PD_Mitscher_leg0.718

데이터베이스 식별자

CAS: 104201-66-3
PubChem CID: 5314585
DTXSID: DTXSID001210220
Nikkaji: J1.321.483B、J2.564.585E

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 271

물리화학적 성질

녹는점: 49.2 · 49.2-50.2 °C
끓는 점: 135 · 135-136 °C(Press: 15 Torr)
밀도: 1.251 · 1.251±0.06 g/cm3(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사20 곳

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