1,1,2,2,3-ペンタクロロシクロプロパン

Pentachlorocyclopropane

HCID 22631CAS 6262-51-7

部分構造検索類似構造を探す

基本情報

標準SMILES: ClC1C(Cl)(Cl)C1(Cl)Cl
InChIKey: IACJMSLMMMSESC-UHFFFAOYSA-N
分子式: C3HCl5
平均分子量: 214.3 g/mol
単同位体質量: 211.85208843

名称と識別子

優先名称: Pentachlorocyclopropane
IUPAC: 1,1,2,2,3-pentachlorocyclopropane
現地名: 1,1,2,2,3-ペンタクロロシクロプロパン
英語名: Pentachlorocyclopropane
分子式: C3HCl5
分子量: 214.3

名称と別名

PENTACHLOROCYCLOPROPANE1,1,2,2,3-PentachlorocyclopropaneCyclopropane, pentachloroRefChem:859692613-064-56262-51-7Cyclopropane, pentachloro-MFCD000107961,1,2,2,3-pentachloro-cyclopropaneNSC 139996BRN 1903418NSC-139996

名称をさらに表示

1,1,2,2,3-ペンタクロロシクロプロパン1,2,2,3,3-ペンタクロロシクロプロパンペンタクロロシクロプロパンPentachlorocyclopropane, GC 98%Pentachlorocyclopropane, GC 95+%PENTACHLOROCYCLOPROPANE, TECH., 90%Cyclopropane, 1,1,2,2,3-pentachloro-PENTACHLOROCYCLOPROPANE ISO 9001：2015 REACH

1,2,2,3,3-PentachlorocyclopropaneNSC139996pentachloro-cyclopropanC3HCl5V4TJ9AL9RFPentachlorocyclopropane,98%SCHEMBL777731SCHEMBL777732

データベース識別子

CAS: 6262-51-7
PubChem CID: 22631
DTXSID: DTXSID6073366
UNII: V4TJ9AL9RF
EC Number: 613-064-5
Nikkaji: J125.039F

物性

構造計算による物性

XLogP: 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: 0
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 103

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Cyclic Hydrocarbons

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 55 · 55-56 °C/7 mmHg (lit.)
比重(密度): 1.668 g/mL · 1.668 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5169(lit.)
闪点: 213 °F · 213 °F
貯蔵温度: Sealed in dry,Room Temperature
色: 無色の液体
InChI: InChI=1S/C3HCl5/c4-1-2(5,6)3(1,7)8/h1H
InChIKey: IACJMSLMMMSESC-UHFFFAOYSA-N
SMILES: C1(Cl)(Cl)C(Cl)C1(Cl)Cl
EPAの化学物質情報: Cyclopropane, pentachloro- (6262-51-7)

化学的性質

化学的特性CLEAR COLORLESS LIQUID

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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards Summary · 1 件

Causes tremor and necrotic gastrointestinal changes in dermal lethal-dose studies of rats; Causes visual field changes, somnolence, and convulsions in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Cyclopropane. See Octafluorocyclobutane.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
rtecs: GZ2214500
毒性: LDLo orl-rat: 78 mg/kg EPASR* 8EHQ-0587-0678
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用Pentachlorocyclopropane has been used in the preparation of:tetrachlorocyclopropene via reaction with 18M aqueous KOH at 80-85°Csubstituted phenyltrichlorocyclopropene derivatives

一般的な説明Hydrogen-bonded complexes of pentachlorocyclopropane with the bases acetonitrile, ammonia, monomethylamine and dimethylamine have been isolated.