2,3-Dichloro-1,3-butadiene

HCID 15447CAS 1653-19-6

基本信息

标准SMILES: C=C(Cl)C(=C)Cl
InChIKey: LIFLRQVHKGGNSG-UHFFFAOYSA-N
分子式: C4H4Cl2
平均分子量: 122.98 g/mol
单同位素质量: 121.96900549

名称与标识

首选名称: 2,3-Dichloro-1,3-butadiene
IUPAC: 2,3-dichlorobuta-1,3-diene
中文名: 2,3-DICHLORO-1,3-BUTADIENE
英文名: 2,3-dichlorobuta-1,3-diene
分子式: C4H4Cl2
分子量: 122.98

名称与别名

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

展开更多名称

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

数据库标识

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

性质

结构计算性质

XLogP: 2.7
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 1
重原子: 6
形式电荷: 0
复杂度: 71.5

实验与物化性质

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLiquid

物理化学性质

沸点: 98.05 °C · 98.05°C
密度: 1.1829 · 1.1829
折射率: 1.489 · 1.4890
LogP: 3.018 at · 3.018 at 20℃
EPA化学物质信息: 2 · 2,3-Dichloro-1,3-butadiene (1653-19-6)

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

Regulatory Information · 3 条

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%)