Basic information
- CAS
1415124-96-7- Standard SMILES
O=C(O)c1c(Cl)cc(CO)cc1Cl- InChIKey
YHWBSZXXIOUGGB-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
Names & identifiers
- Preferred name
- 2,6-Dichloro-4-(hydroxymethyl)benzoic acid
- IUPAC
- 2,6-dichloro-4-(hydroxymethyl)benzoic acid
Names & synonyms
2,6-dichloro-4-(hydroxymethyl)benzoic acid1415124-96-7RefChem:445395890-346-6SCHEMBL543118YHWBSZXXIOUGGB-UHFFFAOYSA-NMFCD34186602G75444EN300-28227052F553916
Database identifiers
- CAS
1415124-96-7- PubChem CID
- 66720583
- EC Number
- 890-346-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Safety & regulation
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
6 records
Compound notes
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