CAS 114715-77-4 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid (HCID 2775125)

基本情報

CAS: 114715-77-4
標準SMILES: CC(O)(C(=O)O)C(F)(F)F
InChIKey: CTGJACFEVDCYMC-UHFFFAOYSA-N
分子式: C4H5F3O3
平均分子量: 158.08 g/mol
単同位体質量: 158.01907868

名称と識別子

優先名称: 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
IUPAC: 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
現地名: 2-(トリフルオロメチル)-2-ヒドロキシプロピオン酸
英語名: 2-(Trifluoromethyl)-2-hydroxypropionic acid
分子式: C4H5F3O3
分子量: 158.08

名称と別名

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-

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.5
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 85 °C · 85°C
沸点: 189 °C · 189°C
闪点: 189 °C · 189°C
BRN: 1723691 · 1723691
CAS データベース: 114715 · 114715-77-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

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]