2-Chlorocyclohex-1-ene-1-carboxylic acid
Basic information
- CAS
56475-13-9- Standard SMILES
O=C(O)C1=C(Cl)CCCC1- InChIKey
ZODRKAXSGHOHFF-UHFFFAOYSA-N- Molecular formula
- C7H9ClO2
- Average molar mass
- 160.6 g/mol
- Monoisotopic mass
- 160.0291072
Names & identifiers
- Preferred name
- 2-Chlorocyclohex-1-ene-1-carboxylic acid
- IUPAC
- 2-chlorocyclohexene-1-carboxylic acid
- English name
- 2-Chlorocyclohex-1-ene-1-carboxylic acid
- Molecular formula
- C7H9ClO2
- Molecular weight
- 160.6
Names & synonyms
2-chlorocyclohex-1-ene-1-carboxylic acid56475-13-9DTXSID60403957RefChem:259474DTXCID80354811965-206-32-chlorocyclohexene-1-carboxylic Acid2-CHLOROCYCLOHEX-1-ENE-1-CARBOXYLICACIDMFCD05669849SCHEMBL8053401GCA475132-Chlorocyclohex-1-enecarboxylic acid
Show more names
1-Cyclohexene-1-carboxylic acid, 2-chloro-
2-Chloro-1-cyclohexenecarboxylic AcidAKOS001280969MS-2247SY172291EN300-24507G54958F2124-0638Z198749560
Database identifiers
- CAS
56475-13-9- PubChem CID
- 4527166
- DTXSID
DTXSID60403957- EC Number
- 965-206-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 184
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
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Related reactions
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Compound notes
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