4-Nitropyridine

HCID 70734

Notes Reactions

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Basic information

CAS: 1122-61-8
Standard SMILES: O=[N+]([O-])c1ccncc1
InChIKey: FEXIEMAAKBNTFK-UHFFFAOYSA-N
Molecular formula: C5H4N2O2
Average molar mass: 124.1 g/mol
Monoisotopic mass: 124.02727737

Names & identifiers

Preferred name: 4-Nitropyridine
IUPAC: 4-nitropyridine
English name: 4-Nitropyridine
Molecular formula: C5H4N2O2
Molecular weight: 124.1

Names & synonyms

4-Nitropyridine1122-61-8Pyridine, 4-nitro-59D3DS58ZBNSC-30350DTXSID2074453RefChem:100149DTXCID2033285MFCD000545544-nitro-pyridineUNII-59D3DS58ZBSCHEMBL545380

Show more names

AKOS BBS-00001332IFLAB-BB F1371-01434-Nitropyridine 95%4-Nitropyridine ISO 9001：2015 REACH

AI3-25255NSC30350AKOS000267399SB52565AS-35885SY029168CS-0059175NSC 30350

Database identifiers

CAS: 1122-61-8
PubChem CID: 70734
DTXSID: DTXSID2074453
ChEMBL: CHEMBL4577515
UNII: 59D3DS58ZB
EC Number: 849-473-2
Nikkaji: J478.422G

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Experimental & physicochemical properties

SpringerMaterials PropertiesCoriolis coupling

LogP0.6

Physicochemical properties

Melting point: 500 °C · 500 °C
Boiling point: 85 °C · 85 °C(Press: 15 Torr)
Density: 1.313 · 1.313±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 1.61 · 1.61(at 25℃)
color: Yellow
CAS DataBase Reference: 1122 · 1122-61-8(CAS DataBase Reference)
FDA UNII: 59 D3DS58ZB · 59D3DS58ZB
NIST Chemistry Reference: 4 · 4-Nitropyridine(1122-61-8)
EPA Substance Registry System: 4 · Pyridine, 4-nitro- (1122-61-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.