Basic information
- CAS
89683-47-6- Standard SMILES
O=C(O)C1(Cl)CC2C=CC1C2- InChIKey
BVPVSEUOWYGHBO-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.0291072
Names & identifiers
- Preferred name
- 2-Chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- IUPAC
- 2-chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- English name
- RARECHEM AQ BC 7004
- Molecular formula
- C8H9ClO2
- Molecular weight
- 172.61
Names & synonyms
2-Chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid89683-47-6NSC167458DTXSID20304815NSC167973NSC-167458NSC-167973DB-355955RARECHEM AQ BC 7004(+-)-2-chloro-norborn-5-ene-2endo-carboxylic acid5-CHLOROBICYCLO(2.2.1)HEPT-2-EN-5-ENDO-CARBOXYLIC ACID2-Chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid 97%
Show more names
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-chloro-, endo- (9CI)
Database identifiers
- CAS
89683-47-6- PubChem CID
- 296901
- DTXSID
DTXSID20304815
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 139 · 139-141
- Boiling point
- 302.606 · 302.606±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.384 · 1.384±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.785 · 2.785±0.20(predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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