3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

HCID 2775125

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114715-77-4
표준 SMILES: CC(O)(C(=O)O)C(F)(F)F
InChIKey: CTGJACFEVDCYMC-UHFFFAOYSA-N
분자식: C4H5F3O3
평균 분자량: 158.08 g/mol
단동위원소 질량: 158.01907868

이름 및 식별자

우선 이름: 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
IUPAC: 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
영어명: 2-(Trifluoromethyl)-2-hydroxypropionic acid
분자식: C4H5F3O3
분자량: 158.08

이름 및 동의어

3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid2-(Trifluoromethyl)-2-hydroxypropionic acidDTXSID70921475RefChem:485058DTXCID30835600609-428-8374-35-6114715-77-42-Hydroxy-2-(trifluoromethyl)propionic Acid3,3,3-Trifluoro-2-hydroxy-2-methylpropionic AcidMFCD00190646Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-

이름 더 보기

TFM-LARARECHEM AL BO 04122-(TRIFLUOROMETHYL)LACTIC ACIDHydroxy-2-(trifluoroMethyl)propioni2-trifluoromethyllactic acid (TFMLA)3,3,3-TRIFLUORO-2-HYDROXYISOBUTYRIC ACID2-(Trifluoromethyl)-2-hydroxypropionic acid~2-(Trifluoromethyl)lactic acid

2-(Trifluoromethyl)-2-hydroxypropionicacid2-(Trifluoromethyl)-2-hydroxypropanoic acidT19023,3,3-trifluoro2-hydroxy-2-methylpropanoic acid3,3,3-trifiuoro-2-hydroxy-2-methylpropanoic acid3,3,3-trifluoro-2- hydroxy-2-methylpropanoic acid3,3,3-trifluoro-2-hydroxy-2-methyl-propionic acid2-(Trifluoromethyl)-DL-lactic acid

데이터베이스 식별자

CAS: 114715-77-4、374-35-6
PubChem CID: 2775125
DTXSID: DTXSID70921475
EC Number: 609-428-8、670-543-1
Nikkaji: J1.586.287D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 85 °C · 85°C
끓는 점: 189 °C · 189°C
인화점: 189 °C · 189°C
BRN: 1723691 · 1723691

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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