Basic information
- CAS
28577-62-0- Standard SMILES
C=CC=C(Cl)Cl- InChIKey
PDKAXHLOFWCWIH-UHFFFAOYSA-N- Molecular formula
- C4H4Cl2
- Average molar mass
- 122.98 g/mol
- Monoisotopic mass
- 121.96900549
Names & identifiers
- Preferred name
- Dichloro-1,3-butadiene
- IUPAC
- 1,1-dichlorobuta-1,3-diene
- English name
- 1,1-Dichloro-1,3-butadiene
- Molecular weight
- 0
Names & synonyms
Dichlorobutadiene28577-62-0RefChem:920075DICHLORO-1,3-BUTADIENE249-091-01,1-Dichlorobuta-1,3-dieneDichlorobuta-1,3-diene6061-06-9DCBD1,3-Dichlorobutadiene1,3-Butadiene, dichloro-EINECS 249-091-0
Show more names
1,1-DICHLORO-1,3-BUTADIENESCHEMBL43545orb1986129SCHEMBL80588611,1-dichloro-buta-1,3-dieneDTXSID509512551,3-Butadiene, 1,1-dichloro-PDKAXHLOFWCWIH-UHFFFAOYSA-N
Database identifiers
- CAS
28577-62-0、6061-06-9- PubChem CID
- 22429
- DTXSID
DTXSID50951255- EC Number
- 227-988-8、249-091-0
- Nikkaji
- J81.139D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 69.6
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 99.04 °C · 99.04°C (estimate)
- Density
- 1.1831 · 1.1831
- refractive index
- 1.5022 · 1.5022
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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