4-Chlorobuta-1,2-diene
Basic information
- CAS
25790-55-0- Standard SMILES
C=C=CCCl- InChIKey
FBSZAHKIQXIJJG-UHFFFAOYSA-N- Molecular formula
- C4H5Cl
- Average molar mass
- 88.53 g/mol
- Monoisotopic mass
- 88.0079779
Names & identifiers
- Preferred name
- 4-Chlorobuta-1,2-diene
- IUPAC
- 4-chlorobuta-1,2-diene
- English name
- 4-Chloro-1,2-butadiene
- Molecular formula
- C4H5Cl
- Molecular weight
- 88.54
Names & synonyms
4-chlorobuta-1,2-diene25790-55-0DTXSID40871352RefChem:521965DTXCID90819022896-469-14-CHLORO-1,2-BUTADIENESCHEMBL1170991AKOS006383594EN300-6451615(Chloromethyl)allene1,2-Butadiene, 4-chloro- (6CI,8CI,9CI)
Database identifiers
- CAS
25790-55-0- PubChem CID
- 33173
- DTXSID
DTXSID40871352- EC Number
- 896-469-1
- Nikkaji
- J150.963B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 50.7
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -130 °C · -130°C (estimate)
- Boiling point
- 64.51 °C · 64.51°C (estimate)
- Density
- 0.9891 · 0.9891
- refractive index
- 1.4775 · 1.4775
- CAS DataBase Reference
- 25790 · 25790-55-0
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
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Compound notes
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