2,3-ジクロロ-1,3-ブタジエン

2,3-Dichloro-1,3-butadiene

HCID 15447CAS 1653-19-6

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(Cl)C(=C)Cl
InChIKey: LIFLRQVHKGGNSG-UHFFFAOYSA-N
分子式: C4H4Cl2
平均分子量: 122.98 g/mol
単同位体質量: 121.96900549

名称と識別子

優先名称: 2,3-Dichloro-1,3-butadiene
IUPAC: 2,3-dichlorobuta-1,3-diene
現地名: 2,3-ジクロロ-1,3-ブタジエン
英語名: 2,3-dichlorobuta-1,3-diene
分子式: C4H4Cl2
分子量: 122.98

名称と別名

2,3-Dichloro-1,3-butadiene2,3-Dichlorobutadiene1653-19-61,3-Butadiene, 2,3-dichloro-2,3-Dichlor-1,3-butadien2,3-Dichlorobutadiene-1,3SG9RMT8EAJDTXSID1027423RefChem:81585DTXCID307423216-721-02,3-DICHLOROBUTA-1,3-DIENE

名称をさらに表示

2,3-ジクロロ-1,3-ブタジエン２，３ジクロロブタジエン１，３2，3-ジクロロブタジエン-1，3

BRN 1698807EINECS 216-721-02,3-Dichlor-1,3-butadien [Czech]UNII-SG9RMT8EAJEC 216-721-0SCHEMBL125620SCHEMBL5494430SCHEMBL5684951

データベース識別子

CAS: 1653-19-6
PubChem CID: 15447
DTXSID: DTXSID1027423
UNII: SG9RMT8EAJ
EC Number: 216-721-0
Nikkaji: J34.960G

物性

構造計算による物性

XLogP: 2.7
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: 1
重原子数: 6
形式電荷: 0
複雑度: 71.5

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLiquid

物理化学的性質

沸点: 98.05 °C · 98.05°C
比重(密度): 1.1829 · 1.1829
屈折率: 1.489 · 1.4890
LogP: 3.018 at · 3.018 at 20℃
EPAの化学物質情報: 2 · 2,3-Dichloro-1,3-butadiene (1653-19-6)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 74.7% (59 of 79) of all reports.

Warning

H302 (16.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 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

Regulatory Information · 3 件

Chemical: 1,3-Butadiene, 2,3-dichloro-

1,3-Butadiene, 2,3-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Butadiene, 2,3-dichloro- 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: 26-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14524

Hazard Classes and CategoriesAcute Tox. 4 (16.5%)

安全データ

tsca: TSCA listed
ridadr: 1992
hazard_class: 3.1
packing_group: II

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesMonomers

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,3-Butadiene, 2,3-dichloro-: ACTIVE

調製方法 · 1 件

純化方法Crystallise it from pentane to constant melting point of -40o. A mixture of meso and d,l forms is separated by gas chromatography on an 8m stainless steel column (8mm i.d.) with 20% DEGS (diethyleneglycolsilyl chloride) on Chromosorb W (60-80 mesh) at 60o and 80mL He/min. Distil it under vacuum. [Su & Ache J Phys Chem 80 659 1976.]