N-Benzylpyridinium chloride
Basic information
- CAS
2876-13-3- Standard SMILES
[Cl-].c1ccc(C[n+]2ccccc2)cc1- InChIKey
GNPSDJOWGWWXSS-UHFFFAOYSA-M- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0658271
Names & identifiers
- Preferred name
- N-Benzylpyridinium chloride
- IUPAC
- 1-benzylpyridin-1-ium chloride
- English name
- 1-benzylpyridinium chloride
- Molecular formula
- C12H12ClN
- Molecular weight
- 205.68338
Names & synonyms
2876-13-3N-BENZYLPYRIDINIUM CHLORIDE1-Benzylpyridinium chloridePyridinium, 1-(phenylmethyl)-, chloridePyridinium, 1-(phenylmethyl)-, chloride (1:1)90Q8L4GGC4EINECS 220-717-4DTXSID10883902RefChem:829290DTXCID001023384220-717-41-benzylpyridin-1-ium chloride
Show more names
Benzyl Pyridinium chloride (98%)1-(phenylmethyl)-pyridiniu chloride1-(phenylmethyl)pyridin-1-ium chloride
1-benzylpyridin-1-ium;chlorideMFCD00072420UNII-90Q8L4GGC4Pyridinium,1-(phenylmethyl)-,chloridebenzyl pyridinium chloride1-benzylpyridin-1-iumchlorideSCHEMBL636283GNPSDJOWGWWXSS-UHFFFAOYSA-M
Database identifiers
- CAS
2876-13-3- PubChem CID
- 76135
- DTXSID
DTXSID10883902- UNII
- 90Q8L4GGC4
- EC Number
- 220-717-4
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- FDA UNII
- 90 Q8L4GGC4 · 90Q8L4GGC4
- EPA Substance Registry System
- 1 · Pyridinium, 1-(phenylmethyl)-, chloride (2876-13-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- Toxicity
- 80 mg/kg · LDLo scu-mus: 80 mg/kg NDRC** -,21,43
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
- Toxicity
- LDLo scu-mus: 80 mg/kg NDRC** -,21,43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-(phenylmethyl)-, chloride (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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