CAS 14011-21-3 2-Nitroacetamide (HCID 279256)

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Basic information

CAS: 14011-21-3
Standard SMILES: NC(=O)C[N+](=O)[O-]
InChIKey: QXDAKFBVTWGQHQ-UHFFFAOYSA-N
Molecular formula: C2H4N2O3
Average molar mass: 104.07 g/mol
Monoisotopic mass: 104.02219199

Names & identifiers

Preferred name: 2-Nitroacetamide
IUPAC: 2-nitroacetamide
English name: NITROACETAMIDE
Molecular formula: C2H4N2O3
Molecular weight: 104.06

Names & synonyms

2-NitroacetamideDTXSID90299360RefChem:477175DTXCID50250497976-522-614011-21-3NitroacetamideAcetamide, 2-nitro-MFCD01215007C2H4N2O32-nitro-acetamide2-Nitroacetamide #

Show more names

2-Nitroacetamide ammonium

NSC129599SCHEMBL492196SCHEMBL6586160SBB000037AKOS006278665NSC-129599BS-21398ST025750

Database identifiers

CAS: 14011-21-3
PubChem CID: 279256
DTXSID: DTXSID90299360
EC Number: 976-522-6
Nikkaji: J860.714A

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 93.6

Physicochemical properties

Melting point: 106 · 106-107 °C
Boiling point: 336.1 · 336.1±25.0 °C(Predicted)
Density: 1.385 · 1.385±0.06 g/cm3(Predicted)
pka: 6.2 · 6.20±0.29(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.