2-トリフルオロメチル-3,3,3-トリフルオロ-1-プロペン

3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene

HCID 91450

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 382-10-5
標準SMILES: C=C(C(F)(F)F)C(F)(F)F
InChIKey: QMIWYOZFFSLIAK-UHFFFAOYSA-N
分子式: C4H2F6
平均分子量: 164.05 g/mol
単同位体質量: 164.00606938

概要

reactive monomer use in the synthesis of a variety of heat-stable copolymers

名称と識別子

優先名称: 3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene
IUPAC: 3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
現地名: 2-トリフルオロメチル-3,3,3-トリフルオロ-1-プロペン
英語名: Hexafluoroisobutene
分子式: C4H2F6
分子量: 164.05

名称と別名

382-10-53,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene3,3,3,4,4,4-Hexafluoroisobutylene3,3,3-trifluoro-2-(trifluoromethyl)-1-propenePropene, 3,3,3-trifluoro-2-(trifluoromethyl)-1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-RefChem:4850543,3,3,4,4,4-HFIBHexafluoroisobutyleneHEXAFLUOROISOBUTENE3,3,3-Trifluoro-2-(trifluoromethyl)propene1,1-Bis(trifluoromethyl)ethene

名称をさらに表示

2-(トリフルオロメチル)-3,3,3-トリフルオロ-1-プロペン2-トリフルオロメチル-3,3,3-トリフルオロ-1-プロペン1,1-ビス(トリフルオロメチル)エテン3,3,3-トリフルオロ-2-(トリフルオロメチル)-1-プロペンヘキサフルオロイソブチレン3,3,3-(TRIFLUOROMETHYL)-1-PROPENE3,3,3-Trifluor-2-(trifluormethyl)propen3,3,3-trifluoro-2-(trifluoromethyl)-propen2-Trifluoromethyl-3,3,3-trifluoro-1-propene3,3,3-trifluoro-2-(trifluoromethyl)-1-propen

P9GQF23ZL82-trifluoromethyl-3,3,3-trifluoropropeneHFIBEINECS 206-840-6BRN 1769638UNII-P9GQF23ZL8SCHEMBL60364SCHEMBL3691546

データベース識別子

CAS: 382-10-5
PubChem CID: 91450
DTXSID: DTXSID9052056
UNII: P9GQF23ZL8
EC Number: 206-840-6
Nikkaji: J28.271E

物性

構造計算による物性

XLogP: 3.1
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 121

実験および物理化学的性質

PFAS · 3 件

PFAS -> Other/unspecified

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

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionGas Vapor

物理化学的性質

融点: -111 °C · -111°C
沸点: 14 · 14,5°C
比重(密度): 1 · 1,391 g/cm3
屈折率: 1.275 · 1.2750 (estimate)
水溶解度: 272 mg/L · 272mg/L at 20℃
InChI: InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2
InChIKey: QMIWYOZFFSLIAK-UHFFFAOYSA-N
SMILES: C=C(C(F)(F)F)C(F)(F)F
LogP: 2.42 at · 2.42 at 20℃
EPAの化学物質情報: 3 · 3,3,3-Trifluoro-2-(trifluoromethyl)propene (382-10-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H280 (70.2%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P203, P260, P261, P264, P270, P271, P280, P304+P340, P316, P318, P319, P321, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)-

1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 3,3,3-trifluoro-2-(trifluoromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20324

Hazard Classes and CategoriesPress. Gas (Comp.) (70.2%)

安全データ

tsca: TSCA listed
ridadr: 3163
毒性: rat,LC50,inhalation,1425ppm/4H (1425ppm),SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYELUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0683-0476S,
risk_code: 23
化審法: 新規公示化学物質（2011年3月31日以前届出）
hazard_code: F
hazard_note: Flammable
safety_code: 23-38
hazard_class: GAS