CAS 5093-64-1 2-Acetamido-5-nitropyridine (HCID 345125)

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Basic information

CAS: 5093-64-1
Standard SMILES: CC(=O)Nc1ccc([N+](=O)[O-])cn1
InChIKey: XKAASKOXADTLIG-UHFFFAOYSA-N
Molecular formula: C7H7N3O3
Average molar mass: 181.15 g/mol
Monoisotopic mass: 181.04874108

Names & identifiers

Preferred name: 2-Acetamido-5-nitropyridine
IUPAC: N-(5-nitro-2-pyridinyl)acetamide
English name: 2-Acetamido-5-nitropyridine
Molecular formula: C7H7N3O3
Molecular weight: 181.15

Names & synonyms

2-Acetamido-5-nitropyridineDTXSID20322953RefChem:462758DTXCID50274072623-520-55093-64-1N-(5-nitropyridin-2-yl)acetamide2-Acetylamino-5-nitropyridineMFCD00833973Acetamide, N-(5-nitro-2-pyridinyl)-N-(5-nitro-2-pyridyl)acetamideMLS000543829

Show more names

N-(5-nitropyridin-2-yl)aceta[N-5-NITRO-2-PYRIDYL] ACETAMIDE2-Acetamido-5-nitropyridine ,98%2-Acetamido-5-nitropyridine ISO 9001：2015 REACH

N-{5-nitro-2-pyridinyl}acetamideNSC-402463SMR000162616SY057140CS-0127984AA-504/32988062NSC402463A26155

Database identifiers

CAS: 5093-64-1
PubChem CID: 345125
DTXSID: DTXSID20322953
ChEMBL: CHEMBL1575131
EC Number: 623-520-5
Nikkaji: J2.353.055D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 87.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 199 · 199-203 °C(lit.)
Boiling point: 437.1 · 437.1±30.0 °C(Predicted)
Density: 1.419 · 1.419±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Dimethylformamide
form: powder to crystal
pka: 12.61 · 12.61±0.70(Predicted)
color: White to Light yellow to Light orange
λmax: 315 nm · 315nm(EtOH)(lit.)
BRN: 162973 · 162973
CAS DataBase Reference: 5093 · 5093-64-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 319 · H319-H302-H315-H317-H318-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280-P305+P351+P338 · P280a-P304+P340-P405-P501a-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (86.7%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H319-H302-H315-H317-H318-H335
Precautionary statements: P280a-P304+P340-P405-P501a-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280-P305+P351+P338