Basic information
- CAS
933722-49-7- Standard SMILES
O=C(O)C1(c2ccccc2Cl)CCCCC1- InChIKey
DQMIRZBUUYBQQZ-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)cyclohexane-1-carboxylic acid
- IUPAC
- 1-(2-chlorophenyl)cyclohexane-1-carboxylic acid
Names & synonyms
1-(2-chlorophenyl)cyclohexane-1-carboxylic acid933722-49-7RefChem:421906831-574-8IMB72249AKOS0003452291-(2-chlorophenyl)cyclohexane-1-carboxylicacidEN300-214536
Database identifiers
- CAS
933722-49-7- PubChem CID
- 19600587
- EC Number
- 831-574-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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