Basic information
- Standard SMILES
Cl.O=C(O)Cc1ccncc1- InChIKey
WKJRYVOTVRPAFN-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO2
- Average molar mass
- 173.6 g/mol
- Monoisotopic mass
- 173.02435618
Names & identifiers
- Preferred name
- 4-Pyridineacetic acid hydrochloride
- IUPAC
- 2-pyridin-4-ylacetic acid;hydrochloride
Names & synonyms
6622-91-94-Pyridineacetic acid hydrochloride4-Pyridylacetic acid hydrochloride2-(pyridin-4-yl)acetic acid hydrochloride4-Carboxymethylpyridinium chloride4-Pyridineacetic acid, hydrochlorideB0SXW80JZMpyridin-4-ylacetic acid hydrochlorideDTXSID50216417EINECS 229-576-3NSC-53284NSC 53284
Show more names
4-PYRIDINEACETIC ACID, HYDROCHLORIDE (1:1)RefChem:526613DTXCID50138908229-576-3MFCD000128272-pyridin-4-ylacetic acid;hydrochloride4-PYRIDINEACETIC ACID HCLAKOS009140643
Database identifiers
- CAS
6622-91-9- PubChem CID
- 81097
- DTXSID
DTXSID50216417- UNII
- B0SXW80JZM
- EC Number
- 229-576-3
Properties
Computed structural properties
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
38 records
Linked notes
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