Ethyl (2E)-4,4,4-trifluoro-2-butenoate

HCID 5371261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25597-16-4
표준 SMILES: CCOC(=O)/C=C/C(F)(F)F
InChIKey: ZKRJCMKLCDWROR-ONEGZZNKSA-N
분자식: C6H7F3O2
평균 분자량: 168.11 g/mol
단동위원소 질량: 168.03981412

이름 및 식별자

우선 이름: Ethyl (2E)-4,4,4-trifluoro-2-butenoate
IUPAC: ethyl (E)-4,4,4-trifluorobut-2-enoate
영어명: Ethyl 4,4,4-trifluorocrotonate
분자식: C6H7F3O2
분자량: 168.11

이름 및 동의어

ethyl (2E)-4,4,4-trifluorobut-2-enoateEthyl (2E)-4,4,4-trifluoro-2-butenoateDTXSID701282600RefChem:592954DTXCID101713027607-752-4Ethyl 4,4,4-trifluorocrotonate25597-16-4ethyl (E)-4,4,4-trifluorobut-2-enoate406-10-0ethyl 4,4,4-trifluorobut-2-enoateMFCD00009903

이름 더 보기

ETHYL 4,4,4-TRIFLUORO-TRANS-2-BUTENOATECF3CH=CHCO2C2H4,4,4-trifluorocrotonateEthyl 4,4,4-trifluorocrotote4,4,4-Trifluorocrotonate ethylEthyl4,4,4-trifluorocrotonate98%

(E)-ETHYL 4,4,4-TRIFLUOROBUT-2-ENOATE4,4,4-Trifluorocrotonic Acid Ethyl EsterETHYL TRANS-4,4,4-TRIFLUOROCROTONATEEthyl trans-4,4,4-trifluoro-2-butenoateNSC3741142-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-ethyl trifluorocrotonateSCHEMBL195983

데이터베이스 식별자

CAS: 25597-16-4、406-10-0
PubChem CID: 5371261
DTXSID: DTXSID701282600
EC Number: 607-752-4、609-851-8
Nikkaji: J654.921G、J992.153B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 114 · 114-115 °C(lit.)
밀도: 1.125 g/mL · 1.125 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.3601(lit.)
인화점: 78 °F · 78 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.125 · 1.125
색상: 무색의
BRN: 1707262 · 1707262
InChI: InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChIKey: ZKRJCMKLCDWROR-ONEGZZNKSA-N
SMILES: C(OCC)(=O)/C=C/C(F)(F)F
NIST: 4 · Ethyl 4,4,4-trifluorocrotonate(25597-16-4)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]