CAS 40723-80-6 1,1,1,2,2-Pentafluoro-4-iodobutane (HCID 110092)

名称と識別子

優先名称: 1,1,1,2,2-Pentafluoro-4-iodobutane
IUPAC: 1,1,1,2,2-pentafluoro-4-iodobutane
現地名: 1,1,1,2,2-ペンタフルオロ-4-ヨードブタン
英語名: 1,1,1,2,2-Pentafluoro-4-iodobutane
分子式: C4H4F5I
分子量: 273.97

名称と別名

1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-6Butane, 1,1,1,2,2-pentafluoro-4-iodo-PR0N2JQF4XRefChem:1051643255-055-54-iodo-1,1,1,2,2-pentafluorobutane3,3,4,4,4-pentafluoro-1-iodobutaneMFCD001559102:2 Fluorotelomer iodide1-iodo-3,3,4,4,4-pentafluorobutane1,1,2,2-Tetrahydroperfluorobutyl iodide

名称をさらに表示

1,1,1,2,2-ペンタフルオロ-4-ヨードブタン3,3,4,4,4-ペンタフルオロブチルヨージド4-ヨード-1,1,1,2,2-ペンタフルオロブタン1H,1H,2H,2H-PERFLUOROBUTYL IODIDEuorobutane4-Iodo-1,1,1,2,2-pentafL1,1,1,2,2-pentafluoro-4-iodo-butan

2-Perfluoroethyl Ethyl IodideC4H4F5IEINECS 255-055-53,3,4,4,4-Pentafluorobutyl Iodideperfluoroethylethyl iodideUNII-PR0N2JQF4XCF3CF2CH2CH2ISCHEMBL323063

データベース識別子

CAS: 40723-80-6、68390-32-9、85995-91-1
PubChem CID: 110092
DTXSID: DTXSID8068250
UNII: PR0N2JQF4X
EC Number: 255-055-5、289-100-5
Nikkaji: J128.985C

物性

構造計算による物性

XLogP: 3.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 107

実験および物理化学的性質

PFAS · 2 件

PFAS -> Other/unspecified

物理化学的性質

沸点: 100 · 100-101 °C (lit.)
比重(密度): 1.936 g/mL · 1.936 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.391
闪点: 35 ℃ · 35℃
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: soluble in Chloroform, Methanol
外見: clear liquid
色: Colorless to Light yellow to Light orange
InChI: InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
InChIKey: PPXVPFPTMXFUDE-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(F)(F)CCI
CAS データベース: 40723 · 40723-80-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · Butane, 1,1,1,2,2-pentafluoro-4-iodo- (40723-80-6)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.

Not Classified

危険有害性情報

Regulatory Information · 2 件

S - indicates a substance that is identified in a final Significant New Use Rule.

Status: Cease Manufacture Update: 23-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10801

Hazard Classes and Categories · 2 件

Acute Tox. 3 (95.3%)

Not Classified

安全データ

F: 8
wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29037990
risk_code: 25-36
hazard_code: T
safety_code: 26-45
hazard_class: TOXIC
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects