2-(4-Nitrophenyl)pyridine

HCID 459556

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Basic information

CAS: 4282-47-7
Standard SMILES: O=[N+]([O-])c1ccc(-c2ccccn2)cc1
InChIKey: FNLTWLXKZQWUJZ-UHFFFAOYSA-N
Molecular formula: C11H8N2O2
Average molar mass: 200.19 g/mol
Monoisotopic mass: 200.0585775

Names & identifiers

Preferred name: 2-(4-Nitrophenyl)pyridine
IUPAC: 2-(4-nitrophenyl)pyridine
English name: 2-(4-Nitrophenyl)pyridine
Molecular formula: C11H8N2O2
Molecular weight: 200.19

Names & synonyms

2-(4-Nitrophenyl)pyridine4282-47-7DTXSID00332676RefChem:458249DTXCID90283769622-200-22-(p-Nitrophenyl)pyridineMFCD000927602-(4-Nitro-phenyl)-pyridineSCHEMBL2615553AKOS015999675AC-22452

Show more names

3-Nitro-6-phenylpyridine2-PHENYL-5-NITROPYRIDINE5-NITRO-2-PHENYLPYRIDINEPyridine, 2-(4-nitrophenyl)-2-(4-Nitrophenyl)pyridine ISO 9001：2015 REACH

BS-16823CS-0155856EN300-745862F15122FT-0635205pyridine, 2-p-nitrophenyl-A826019SCHEMBL5935155

Database identifiers

CAS: 4282-47-7
PubChem CID: 459556
DTXSID: DTXSID00332676
EC Number: 622-200-2
Nikkaji: J858.363C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 219

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

Melting point: 116 · 116-118
Boiling point: 354.3 · 354.3±17.0 °C(Predicted)
Density: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.66 · 3.66±0.25(Predicted)
InChI: InChI=1S/C11H8N2O2/c14-13(15)10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8H
InChIKey: FNLTWLXKZQWUJZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C([N+]([O-])=O)C=C2)=NC=CC=C1
CAS DataBase Reference: 4282 · 4282-47-7(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H301-H315-H318-H335
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362