Basic information
- CAS
62936-24-7- Standard SMILES
COc1cc(C(=O)O)c(Cl)cc1O- InChIKey
CWAVFSFCVCDDEM-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4
- Average molar mass
- 202.59 g/mol
- Monoisotopic mass
- 202.0032864
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-4-hydroxy-5-methoxy-
- IUPAC
- 2-chloro-4-hydroxy-5-methoxybenzoic acid
Names & synonyms
2-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACID62936-24-7Benzoic acid, 2-chloro-4-hydroxy-5-methoxy-DTXSID70212138RefChem:565531DTXCID70134629869-046-46-Chlorovanillic acidSCHEMBL6161597MFCD22046968DB-303033EN300-8191111
Database identifiers
- CAS
62936-24-7- PubChem CID
- 44216
- DTXSID
DTXSID70212138- EC Number
- 869-046-4
- Nikkaji
- J633.696E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
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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