2,3-Dichloro-1,3-butadiene

HCID 15447CAS 1653-19-6

Substructure search Find similar structures

Basic information

Standard SMILES: C=C(Cl)C(=C)Cl
InChIKey: LIFLRQVHKGGNSG-UHFFFAOYSA-N
Molecular formula: C4H4Cl2
Average molar mass: 122.98 g/mol
Monoisotopic mass: 121.96900549

Names & identifiers

Preferred name: 2,3-Dichloro-1,3-butadiene
IUPAC: 2,3-dichlorobuta-1,3-diene
English name: 2,3-dichlorobuta-1,3-diene
Molecular formula: C4H4Cl2
Molecular weight: 122.98

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 71.5

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 98.05 °C · 98.05°C
Density: 1.1829 · 1.1829
refractive index: 1.489 · 1.4890
LogP: 3.018 at · 3.018 at 20℃
EWG's Food Scores: 1 · 1
FDA UNII: 9 RMT8EAJ · SG9RMT8EAJ
EPA Substance Registry System: 2 · 2,3-Dichloro-1,3-butadiene (1653-19-6)
Symbol(GHS): 2 · GHS02,GHS09,GHS06
Signal word: Warning
Hazard statements: 225 · H225-H330-H315-H319-H411-H304-H301-H335
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
RIDADR: 1992 · 1992
TSCA: TSCA listed
HazardClass: 3.1 · 3.1
PackingGroup: II
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

tsca: TSCA listed
ridadr: 1992
Signal word: Warning
Symbol(GHS): GHS02,GHS09,GHS06
hazard_class: 3.1
packing_group: II
Hazard statements: H225-H330-H315-H319-H411-H304-H301-H335
REACH Registrations: Active
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362