3-クロロ-1-シクロペンテン

3-Chlorocyclopent-1-ene

HCID 7297CAS 96-40-2

部分構造検索類似構造を探す

基本情報

標準SMILES: ClC1C=CCC1
InChIKey: LPSWJRSLXCPGBK-UHFFFAOYSA-N
分子式: C5H7Cl
平均分子量: 102.56 g/mol
単同位体質量: 102.0236279

名称と識別子

優先名称: 3-Chlorocyclopent-1-ene
IUPAC: 3-chlorocyclopentene
現地名: 3-クロロ-1-シクロペンテン
英語名: 3-Chlorocyclopentene
分子式: C5H7Cl
分子量: 102.56

名称と別名

3-CHLOROCYCLOPENTENE3-chlorocyclopent-1-eneDTXSID10914700RefChem:500480DTXCID801343687887-179-696-40-2Cyclopentene, 3-chloro-3-chloro-cyclopentene3-chloro-1-cyclopentene3-Chlorocyclopenterie3-Chlorocyclo-pentene

名称をさらに表示

3-クロロ-1-シクロペンテン3-クロロシクロペンテン2-シクロペンテニルクロリド3-クロロシクロペンタ-1-エンSKL4962-Cyclopentenyl chloride2-cyclopenten-1-yl chloride

chlorocyclopent-2-eneSCHEMBL71655SCHEMBL28176115AKOS006277957EN300-93758

データベース識別子

CAS: 96-40-2
PubChem CID: 7297
DTXSID: DTXSID10914700
EC Number: 887-179-6
Nikkaji: J22.865F

物性

構造計算による物性

XLogP: 1.9
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: 6
形式電荷: 0
複雑度: 66

実験および物理化学的性質

Kovats Retention Index742

物理化学的性質

沸点: 79.13 °C · 79.13°C (rough estimate)
比重(密度): 1.0388 · 1.0388
屈折率: 1.4708 · 1.4708
EPAの化学物質情報: 3 · Cyclopentene, 3-chloro- (96-40-2)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.