Basic information
- CAS
3355-17-7- Standard SMILES
CC#CCCl- InChIKey
OKWUYBGGPXXFLS-UHFFFAOYSA-N- Molecular formula
- C4H5Cl
- Average molar mass
- 88.53 g/mol
- Monoisotopic mass
- 88.00797784
Names & identifiers
- Preferred name
- 1-Chloro-2-butyne
- IUPAC
- 1-chlorobut-2-yne
- English name
- 2-Butynyl chloride
- Molecular formula
- C4H5Cl
- Molecular weight
- 88.54
Names & synonyms
1-Chloro-2-butyne3355-17-72-Butyne, 1-chloro-DTXSID00334413RefChem:75346DTXCID10285503OKWUYBGGPXXFLS-UHFFFAOYSA-N1-chlorobut-2-yne1-chloro-but-2-yne2-Butyne, 1-chloro-(8CI,9CI)SCHEMBL269940SCHEMBL916716
Show more names
2-Butynyl chloride2-Butyne, 1-chloro- (8CI,9CI)
SCHEMBL6244649AKOS006383189
Database identifiers
- CAS
3355-17-7- PubChem CID
- 520642
- DTXSID
DTXSID00334413- Nikkaji
- J684.888E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 62.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -93.5 °C · -93.5°C (estimate)
- Boiling point
- 101.85 °C · 101.85°C
- Density
- 1.0152 · 1.0152 (estimate)
- refractive index
- 1.4581 · 1.4581
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
2 records
Compound notes
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