3-트리플루오로메틸부티르산

4,4,4-Trifluoro-3-methylbutanoic acid

HCID 136174

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 348-75-4
표준 SMILES: CC(CC(=O)O)C(F)(F)F
InChIKey: FFZMMBKGTNDVRX-UHFFFAOYSA-N
분자식: C5H7F3O2
평균 분자량: 156.1 g/mol
단동위원소 질량: 156.03981412

이름 및 식별자

우선 이름: 4,4,4-Trifluoro-3-methylbutanoic acid
IUPAC: 4,4,4-trifluoro-3-methylbutanoic acid
현지명: 3-트리플루오로메틸부티르산
영어명: 3-Trifluoromethylbutyric acid
분자식: C5H7F3O2
분자량: 156.1

이름 및 동의어

348-75-44,4,4-trifluoro-3-methylbutanoic acidDTXSID40956279RefChem:506974DTXCID401384249679-388-43-(Trifluoromethyl)butyric acid3-Trifluoromethylbutyric acid3-methyl-4,4,4-trifluorobutyric acidMFCD000395333-(trifluoromethyl)butanoic acid4,4,4-trifluoro-3-methyl-butanoic Acid

이름 더 보기

3-트리플루오로메틸부티르산4,4,4-trifluoro-3-methylbutanoicaci3-(Trifluoromethyl)butyric acid 95%N-[2-[4-(2-formamidocyclohexyl)phenyl]cyclohexyl]formamide3-(Trifluoromethyl)butyric acid, 3-Methyl-4,4,4-trifluorobutanoic acid

Butanoic acid, 4,4,4-trifluoro-3-methyl-3-(Trifluoromethyl)butanoic acid 95%4,4,4-trifluoro-3-methyl butanoic acid3-trifluoromethylbutanoic acidSCHEMBL191972FFZMMBKGTNDVRX-UHFFFAOYSA-N3-(Trifluoromethyl)butyricacid95%(-)-3-trifluoromethylbutanoic acid

데이터베이스 식별자

CAS: 348-75-4
PubChem CID: 136174
DTXSID: DTXSID40956279
EC Number: 679-388-4
Nikkaji: J2.451.467F

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

끓는 점: 90 °C · 90 °C
밀도: 1.274 · 1.274±0.06 g/cm3(Predicted)
굴절률: 1.359 · 1.359
인화점: 90 · 90-91°C/25mm
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 4.08 · 4.08±0.10(Predicted)
색상: 투명한
BRN: 1760574 · 1760574

안전 및 규제

GHS 분류

GHS Classification · 4건

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 8 reports by companies from 2 notifications to the ECHA C&L Inventory.