7-Chlorobicyclo[4.2.0]octa-1,3,5-triene
Basic information
- CAS
61599-88-0- Standard SMILES
ClC1Cc2ccccc21- InChIKey
WTWLGTHCUYESQD-UHFFFAOYSA-N- Molecular formula
- C8H7Cl
- Average molar mass
- 138.59 g/mol
- Monoisotopic mass
- 138.0236279
Names & identifiers
- Preferred name
- 7-Chlorobicyclo[4.2.0]octa-1,3,5-triene
- IUPAC
- 7-chlorobicyclo[4.2.0]octa-1,3,5-triene
- English name
- 7-chlorobicyclo[4.2.0]octa-1,3,5-triene
- Molecular formula
- C8H7Cl
- Molecular weight
- 138.59
Names & synonyms
61599-88-07-Chlorobicyclo[4.2.0]octa-1,3,5-triene1-chlorobenzocyclobutene1-chloro-1,2-dihydrocyclobuta[1,2-a]benzeneBicyclo[4.2.0]octa-1,3,5-triene, 7-chloro-SCHEMBL30895279DTXSID60340939WTWLGTHCUYESQD-UHFFFAOYSA-NMFCD01845985AKOS004907662SY4653097-Chlorobicyclo[4.2.0]octa-1,3,5-triene #
Database identifiers
- CAS
61599-88-0- PubChem CID
- 568639
- DTXSID
DTXSID60340939- Nikkaji
- J1.095.599H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 90 · 90-92 °C(Press: 27 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C8H7Cl/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
- InChIKey
- WTWLGTHCUYESQD-UHFFFAOYSA-N
- SMILES
- C12C(C(Cl)C1)=CC=CC=2
- LogP
- 2.5226 · 2.52260
Chemistry & industry
Applications
Uses7-Chlorobicyclo[4.2.0]octa-1,3,5-triene, also known as 1-chlorobenzocyclobutene, is a benzocyclobutene derivative used in the preparation of polymeric materials for microelectronics.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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