Basic information
- CAS
821-08-9- Standard SMILES
C=CC#CC=C- InChIKey
AUBDSFLQOBEOPX-UHFFFAOYSA-N- Molecular formula
- C6H6
- Average molar mass
- 78.11 g/mol
- Monoisotopic mass
- 78.04695019
Names & identifiers
- Preferred name
- Divinylacetylene
- IUPAC
- hexa-1,5-dien-3-yne
- English name
- 1,5-Hexadien-3-yne
- Molecular formula
- C6H6
- Molecular weight
- 78.11
Names & synonyms
Divinylacetylene1,5-HEXADIEN-3-YNEdivinyl acetyleneUNII-99P0CFP5ME99P0CFP5ME1,5-Hexadiene-3-yneCH2=CHC.$.CCH=CH2DTXSID70231561RefChem:135270DTXCID00154052AUBDSFLQOBEOPX-UHFFFAOYSA-Nhexa-1,5-dien-3-yne
Show more names
821-08-9divinylacetylenSCHEMBL50067SCHEMBL832979AKOS006278789Q27272225
Database identifiers
- CAS
821-08-9- PubChem CID
- 61222
- DTXSID
DTXSID70231561- UNII
- 99P0CFP5ME
- Nikkaji
- J7.121H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 94.5
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -88 °C · -88°C
- Boiling point
- 86.55 °C · 86.55°C
- Density
- 0.7851 · 0.7851
- refractive index
- 1.5035 · 1.5035
- FDA UNII
- 99 P0CFP5ME · 99P0CFP5ME
- RIDADR
- 473 · 0473
- HazardClass
- 1.1 A · 1.1A
Safety & regulation
Hazard information
Regulatory Information
1,5-Hexadien-3-yne: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Peroxide Forming Chemical
Divinyl acetylene
A: Compounds that form explosive levels of peroxides without concentration
Kelly
Hazard Classes and CategoriesFlammable agents - 3rd degree, Reactive agents - 4th degree
Safety data
- ridadr
- 0473
- hazard_class
- 1.1A
Chemistry & industry
Suppliers1 total
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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