1,2-ジクロロヘキサフルオロシクロブタン

1,2-Dichlorohexafluorocyclobutane

HCID 9643CAS 356-18-3

部分構造検索類似構造を探す

基本情報

標準SMILES: FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl
InChIKey: LMHAGAHDHRQIMB-UHFFFAOYSA-N
分子式: C4Cl2F6
平均分子量: 232.94 g/mol
単同位体質量: 231.92812468

名称と識別子

優先名称: 1,2-Dichlorohexafluorocyclobutane
IUPAC: 1,2-dichloro-1,2,3,3,4,4-hexafluorocyclobutane
現地名: 1,2-ジクロロヘキサフルオロシクロブタン
英語名: 1,2-Dichlorohexafluorocyclobutane
分子式: C4Cl2F6
分子量: 232.94

名称と別名

1,2-Dichlorohexafluorocyclobutane356-18-31,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutaneDCPFCBRefChem:71866206-599-71,2-DichloroperfluorocyclobutaneC4Cl2F6Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro-EINECS 206-599-7CYCLOBUTANE, 1,2-DICHLOROHEXAFLUORO-BRN 1909267

名称をさらに表示

1,2-ジクロロヘキサフルオロシクロブタン1,2-ジクロロ-1,2,3,3,4,4-ヘキサフルオロシクロブタンFC-C-316Dichlorohexafluorocyclobutane1,2-dichlorohexafluoro-cyclobutanHEXAFLUORO-1,2-DICHLOROCYCLOBUTANE1,2-Dichlorohexafluorocyclobutane97%1,2-Dichlorohexafluorocyclobutane (FC-C-316)

MFCD00019259DTXSID108705142,3-dichloro-1,1,2,3,4,4-hexafluorocyclobutaneCHEMBL446843SCHEMBL1637525SBB098013AKOS007930314BS-22660

データベース識別子

CAS: 356-18-3
PubChem CID: 9643
DTXSID: DTXSID10870514
ChEMBL: CHEMBL446843
EC Number: 206-599-7
Nikkaji: J48.588H

物性

構造計算による物性

XLogP: 3.2
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: 12
形式電荷: 0
複雑度: 206

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons

PFAS · 3 件

PFAS -> Cyclic PFAS

PFAS -> Other/unspecified

PFAS -> non-polymer

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -15 °C · -15 °C
沸点: 59 °C · 59 °C
比重(密度): 1.644 · 1.644
屈折率: 1.333 · 1.333
闪点: 59 · 59-60°C
外見: liquid
比重: 1.644 · 1.644
色: clear
BRN: 1909267 · 1909267
Dielectric constant: 2.46 · 2.46
CAS データベース: 356 · 356-18-3(CAS DataBase Reference)
EPAの化学物質情報: 1 · Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro- (356-18-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazards Summary · 1 件

Causes convulsions and other changes in lungs, thorax, or respiration in inhalation lethal-concentration studies of mice; [RTECS] An irritant; [Sigma-Aldrich MSDS] See Perfluoropropane, Octafluorocyclobutane, and 2,2,3-Trichloroheptafluorobutane.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Toxicity DataLCLo (mouse) = 210,000 ppm/30s

安全データ

rtecs: GU1760000
hs_code: 2903898090
hazard_code: Xi
safety_code: 23-24/25
hazard_class: IRRITANT

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.

用途と製造

Uses · 2 件

non-polymer PFAS -> Refrigerant systems -> Refrigerants

• Refrigerant [Ref: https://www.ashrae.org/technical-resources/standards-and-guidelines/ashrae-refrigerant-designations]

上流・下流製品情報

下流製品

ヘキサフルオロ-1-シクロブテン 1,1,2-トリフルオロトリクロロエタン

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