1,1,1-トリフルオロ-4-ヨードブタン

1,1,1-Trifluoro-4-iodobutane

HCID 2775189

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 461-17-6
標準SMILES: FC(F)(F)CCCI
InChIKey: LNDGACQEAYKNOI-UHFFFAOYSA-N
分子式: C4H6F3I
平均分子量: 237.99 g/mol
単同位体質量: 237.94663285

名称と識別子

優先名称: 1,1,1-Trifluoro-4-iodobutane
IUPAC: 1,1,1-trifluoro-4-iodobutane
現地名: 1,1,1-トリフルオロ-4-ヨードブタン
英語名: 1,1,1-Trifluoro-4-iodobutane
分子式: C4H6F3I
分子量: 237.99

名称と別名

1,1,1-Trifluoro-4-iodobutane461-17-6DTXSID80379443RefChem:409472DTXCID90330469610-281-71-Iodo-4,4,4-trifluorobutane4,4,4-trifluoro-1-iodobutane4-iodo-1,1,1-trifluorobutaneButane, 1,1,1-trifluoro-4-iodo-MFCD000415431,1,1-trifluoro-4-iodo-butane

名称をさらに表示

1,1,1-トリフルオロ-4-ヨードブタン1,1,1-トリフルオロ-4-ヨードブタン, 98+%, STAB. WITH COPPER1-ヨード-4,4,4-トリフルオロブタン4-ヨード-1,1,1-トリフルオロブタン4,4,4-トリフルオロ-1-ヨードブタン4,4,4-トリフルオロブチルヨージドuoro-4-iodobutane1-Iodo-4,4,4-trifluorobutane99%1-Iodo-4,4,4-trifluorobutane 99%4-Iodo-1,1,1-trifluorobutane 99%

4,4,4-trifluorobutyliodide1-iodo-4,4,4-trifluoro-butaneAS-31128SY013146EN300-72535544,4,4-Trifluorobutyl iodideFT-0607952A826991

データベース識別子

CAS: 461-17-6
PubChem CID: 2775189
DTXSID: DTXSID80379443
EC Number: 610-281-7
Nikkaji: J1.250.531K

物性

構造計算による物性

XLogP: 3.3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 58.8

物理化学的性質

沸点: 126 °C · 126 °C
比重(密度): 1.85 · 1.85
屈折率: 1.4326 · 1.4326
闪点: 100 °C · >100°C
貯蔵温度: 2 · 2-8°C(protect from light)
外見: clear liquid
色: Colorless to Light yellow to Light orange
BRN: 1736064 · 1736064
InChI: InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2
InChIKey: LNDGACQEAYKNOI-UHFFFAOYSA-N
SMILES: C(F)(F)(F)CCCI
CAS データベース: 461 · 461-17-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (12.5%): Flammable liquid and vapor [Warning 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (12.5%)

安全データ

hs_code: 29037990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 23-26-36-37
hazard_class: IRRITANT

化学と産業

応用分野 · 2 件

説明1,1,1-Trifluoro-4-iodobutane is an organic compound with the chemical formula CIF3. It is a colorless liquid that reacts with water and alcohol to form hydrogen fluoride and hydrofluoric acid. 1,1,1-Trifluoro-4-iodobutane is a potent sensitizer that can irritate the skin and eyes. It has been used experimentally as a solvent for diethyl ether in the synthesis of piperidinium salts. The cavity viscosity of 1,1,1-trifluoro-4-iodobutane has been measured at room temperature and found to be 0.0038 Pa·s at 25 °C. In laboratory tests, this molecule has shown antibacterial activity against Propionibacterium acnes (P. acnes) and Staphylococcus aureus (S. aureus).

使用1,1,1-Trifluoro-4-Iodobutane can be used to prepare small molecule inhibitors of SLC15A4 possessing anti-inflammatory activity.