4,4,4-Trifluoro-3-methyl-2-butenoic acid

HCID 5708835

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 69056-67-3
표준 SMILES: C/C(=C/C(=O)O)C(F)(F)F
InChIKey: QRRCTLYMABZQCS-IHWYPQMZSA-N
분자식: C5H5F3O2
평균 분자량: 154.09 g/mol

이름 및 식별자

우선 이름: 4,4,4-Trifluoro-3-methyl-2-butenoic acid
IUPAC: (Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid
영어명: 4 4 4-Trifluoro-3-methyl-2-butenoic aci&
분자식: C5H5F3O2
분자량: 154.09

이름 및 동의어

93404-33-269056-67-34,4,4-Trifluoro-3-methyl-2-butenoic acidDTXSID101274095RefChem:506970DTXCID301704656627-003-5beta-Trifluoromethylcrotonic acid(Z)-4,4,4-trifluoro-3-methylbut-2-enoic acidCis-3-(trifluoromethyl)crotonic acidb-trifluoromethylcrotonic acid3-trifluoromethylcrotonic acid

이름 더 보기

Caprylic Acid Impurity 83-Trifluoromethylcrotonicacidβ-Trifluoromethylcrotonic acid?-Trifluoromethylcrotonic acids-Trifluoromethylcrotonic Acidalpha-Trifluoromethylcrotonicacidbata-trifluoromethyl crotonic acid3-(Trifluoromethyl)crotonicacid95%3-(Trifluoromethyl)crotonic acid 95%

3-(TRIFLUOROMETHYL)CROTONICACIDpound E pound(c)-4,4,4-Trifluoro-3-methylbut-2-enoic acidstarbld0000199SCHEMBL936905AKOS005254354MS-20608CS-04521373-(Trifluoromethyl)crotonic acid, AldrichCPR

데이터베이스 식별자

CAS: 69056-67-3、93404-33-2
PubChem CID: 5708835
EC Number: 627-003-5、679-168-8

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 168

물리화학적 성질

녹는점: 28 · 28-30 °C(lit.)
끓는 점: 158 · 158-163 °C(lit.)
밀도: 1.318 g/mL · 1.318 g/mL at 25 °C(lit.)
굴절률: 1.3838 · 1.3838
인화점: 175 °F · 175 °F
산도 계수 (pKa): 2.87 · 2.87±0.33(Predicted)

화학적 성질

White low melting solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]