Basic information
- CAS
14569-76-7- Standard SMILES
O=C(CCl)OCC#CCOC(=O)CCl- InChIKey
GJBMLYJEBNBVPR-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2O4
- Average molar mass
- 239.05 g/mol
- Monoisotopic mass
- 237.9799641
Names & identifiers
- Preferred name
- But-2-ynylene bis(chloroacetate)
- IUPAC
- 4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate
- English name
- but-2-ynylene bis(chloroacetate)
- Molecular formula
- C8H8Cl2O4
- Molecular weight
- 239.05272
Names & synonyms
But-2-ynylene bis(chloroacetate)3HUB9YDJ3VEINECS 238-612-7DTXSID301631371,4-BIS(CHLOROACETOXY)-2-BUTYNEACETIC ACID, CHLORO-, 2-BUTYNE-1,4-DIYL ESTERRefChem:121960DTXCID4085628238-612-714569-76-7but-2-yne-1,4-diyl bis(chloroacetate)4-(2-chloroacetyl)oxybut-2-ynyl 2-chloroacetate
Show more names
Bis(chloroacetic acid)2-butyne-1,4-diyl esterAcetic acid, chloro-, 2-butyne-1,4-diyl ester (9CI)
UNII-3HUB9YDJ3VSCHEMBL11813098GJBMLYJEBNBVPR-UHFFFAOYSA-NNS00024751
Database identifiers
- CAS
14569-76-7- PubChem CID
- 84530
- DTXSID
DTXSID30163137- UNII
- 3HUB9YDJ3V
- EC Number
- 238-612-7
- Nikkaji
- J241.312D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 62.8 · 62.8-63.3 °C
- Boiling point
- 346 · 346.0±37.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- FDA UNII
- 3 HUB9YDJ3V · 3HUB9YDJ3V
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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