Basic information
- CAS
16214-98-5- Standard SMILES
O=C(O)c1ccc[n+](Cc2ccccc2)c1.[Cl-]- InChIKey
VSRWCQJUAYPITR-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0556563
Names & identifiers
- Preferred name
- 1-Benzyl-3-carboxypyridinium chloride
- IUPAC
- 1-benzylpyridin-1-ium-3-carboxylic acid chloride
- English name
- 1-benzyl-3-carboxypyridinium chloride
- Molecular formula
- C13H12ClNO2
- Molecular weight
- 249.69288
Names & synonyms
1-Benzyl-3-carboxypyridinium chlorideNicotinic acid-benzyl chloride quatN-Benzyl-3-carboxypyridinium chloride3-Carboxy-1-benzylpyridinium chloridePyridinium, 3-carboxy-1-(phenylmethyl)-, chlorideN(1)-Benzyl-3-carboxylpyridinium chlorideEINECS 240-341-4N-Benzyl-3-carboxypyridinum chlorideNSC 139652Pyridinium, 1-benzyl-3-carboxy-, chlorideDTXSID30884875Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride (1:1)
Show more names
RefChem:74987DTXCID901024296240-341-416214-98-51-Benzyl-3-carboxypyridin-1-ium chloride1-benzylpyridin-1-ium-3-carboxylic acid;chlorideSCHEMBL2805432NSC139652
Database identifiers
- CAS
16214-98-5- PubChem CID
- 85332
- DTXSID
DTXSID30884875- EC Number
- 240-341-4
Properties
Computed structural properties
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- EPA Substance Registry System
- 3 · Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride (16214-98-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 3-carboxy-1-(phenylmethyl)-, chloride (1:1): ACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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