4,4,4-三氟-2-丁烯-1-醇

4,4,4-Trifluoro-2-buten-1-ol

HCID 2777076

笔记反应

子结构检索查找相似结构

基本信息

CAS: 674-53-3
标准SMILES: OCC=CC(F)(F)F
InChIKey: UUTWQLLIVDODPQ-UHFFFAOYSA-N
分子式: C4H5F3O
平均分子量: 126.08 g/mol
单同位素质量: 126.02924944

名称与标识

首选名称: 4,4,4-Trifluoro-2-buten-1-ol
IUPAC: 4,4,4-trifluorobut-2-en-1-ol
中文名: 4,4,4-三氟-2-丁烯-1-醇
英文名: 4,4,4-Trifluorobut-2-en-1-ol
分子式: C4H5F3O
分子量: 126.08

名称与别名

4,4,4-trifluoro-2-buten-1-ol2-Buten-1-ol, 4,4,4-trifluoro-RefChem:284699614-064-8674-53-32-Buten-1-ol, 4,4,4-trifluoro-, (E)-83706-94-9C4H5F3O(2Z)-4,4,4-TRIFLUOROBUT-2-EN-1-OL2-Buten-1-ol,4,4,4-trifluoro-, (2Z)-SCHEMBL2317874SCHEMBL2494482

展开更多名称

4,4,4-三氟丁-2-烯-1-醇4,4,4-三氟-2-丁烯-1-醇4,4,4-Trifluorobut-2-en-1-ol2-Buten-1-ol,4,4,4-trifluoro-4,4,4-Trifluorocrotyl alcohol4,4,4-Trifluorobut-2-en-1-ol97%(E)-4,4,4-trifluoro-2-buten-1-ol(E)-4,4,4-trifluorobut-2-en-1-ol4,4,4-Trifluorobut-2-en-1-ol 97%4,4,4-Trifluorocrotyl alcohol 97%4,4,4-TRIFLUOROBUT-2-EN-1-OL, MIXTURE OF E/Z ISOMERS

WLXXEZSEVYYTLH-UHFFFAOYSA-NDTXSID5013094684,4,4-Trifluorobut-2-en-1-ol(trans)DB-055032NS001341422-fluoro-3-(trifluoromethyl)-phenylacetonitrile

数据库标识

CAS: 674-53-3
PubChem CID: 2777076
DTXSID: DTXSID501309468
EC Number: 614-064-8

性质

结构计算性质

XLogP: 0.9
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 83.8

实验与物化性质

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

物理化学性质

沸点: 118 · 118-119°C
密度: 1.235 · 1.235±0.06 g/cm3(Predicted)
储存条件: 2 · Storage temp. 2-8°C
酸度系数(pKa): 13.15 · 13.15±0.10(Predicted)
外观: Colorless to off-white Liquid
CAS 数据库: 674 · 674-53-3(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]