2-Phenylpyridine 1-Oxide

HCID 302489

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Basic information

CAS: 1131-33-5
Standard SMILES: [O-][n+]1ccccc1-c1ccccc1
InChIKey: MZBZERKDGUOLBE-UHFFFAOYSA-N
Molecular formula: C11H9NO
Average molar mass: 171.19 g/mol
Monoisotopic mass: 171.06841391

Names & identifiers

Preferred name: 2-Phenylpyridine 1-Oxide
IUPAC: 1-oxido-2-phenylpyridin-1-ium
English name: 2-Phenylpyridine 1-oxide
Molecular formula: C11H9NO
Molecular weight: 171.2

Names & synonyms

2-phenylpyridine 1-oxideRefChem:478227878-888-11131-33-52-Phenylpyridine N-oxide2-phenylpyridin-1-ium-1-olate1-oxido-2-phenylpyridin-1-ium2-phenyl-pyridine 1-oxideMFCD00234705NSC1875582-Phenylpyridine, 1-oxide1-oxido-2-phenyl-pyridin-1-ium

Show more names

Sparsentan Impurity 5Pyridine, 2-phenyl-, 1-oxide1-oxidanidyl-2-phenyl-pyridin-1-ium

DTXSID10307097NSC-187558A1-120091-oxido-2-phenFT-0704072Pyridine,2-phenyl-,1-oxideSCHEMBL3169832-PHENYLPYRIDINE1-OXIDE

Database identifiers

CAS: 1131-33-5
PubChem CID: 302489
DTXSID: DTXSID10307097
EC Number: 878-888-1
Nikkaji: J378.718D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 25.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Physicochemical properties

Melting point: 155 · 155-155.5 °C(Solv: benzene (71-43-2))
Boiling point: 400.8 · 400.8±14.0 °C(Predicted)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
pka: 0.75 · 0.75±0.10(Predicted)
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933.39 · 2933.39.6190

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.39.6190
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P