4,4,4-Trifluorobutanal

HCID 2777083

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 406-87-1
標準SMILES: O=CCCC(F)(F)F
InChIKey: SCJCDNUXDWFVFI-UHFFFAOYSA-N
分子式: C4H5F3O
平均分子量: 126.08 g/mol
単同位体質量: 126.02924944

名称と識別子

優先名称: 4,4,4-Trifluorobutanal
IUPAC: 4,4,4-trifluorobutanal
英語名: 4,4,4-Trifluorobutyraldehyde
分子式: C4H5F3O
分子量: 126.08

名称と別名

4,4,4-trifluorobutanal406-87-1DTXSID10380365RefChem:284715DTXCID50331391691-630-04,4,4-trifluorobutyraldehydeMFCD001906434,4,4-Trifluorobutyraldehyde, tech.4,4,4-trifluoro-butyraldehydeButanal,4,4,4-trifluoro-Butanal, 4,4,4-trifluoro-

名称をさらに表示

5,5,5-trifluoropentanal4,4,4-trifluorobutyralde3-(Trifluoromethyl)propanal3,3,3-Trifluoropropanaldehyde4,4,4-Trifluorobutyraldehyde 95%

4,4,4-Trifluorobutanal 95%4,4,4-trifluoro-1-butanalSCHEMBL285606SCHEMBL605855SCHEMBL288592754,4,4-Trifluorobutyraldehyde95%AAA40687SBB085628

データベース識別子

CAS: 406-87-1
PubChem CID: 2777083
DTXSID: DTXSID10380365
EC Number: 691-630-0
Nikkaji: J1.143.380D

物性

構造計算による物性

XLogP: 1.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 75.8

物理化学的性質

沸点: 94 · 94-97°C
比重(密度): 1 · 1,2 g/cm3
屈折率: 1.3387 · 1.3387 (589.3 nm 25℃)
闪点: -4 ° · -4°
InChI: InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2
InChIKey: SCJCDNUXDWFVFI-UHFFFAOYSA-N
SMILES: C(=O)CCC(F)(F)F

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

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