Nitrourea

HCID 62372CAS 556-89-8

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Basic information

Standard SMILES: NC(=O)N[N+](=O)[O-]
InChIKey: CMUOJBJRZUHRMU-UHFFFAOYSA-N
Molecular formula: CH3N3O3
Average molar mass: 105.05 g/mol
Monoisotopic mass: 105.01744096

Overview

Nitrourea appears as a colorless to white crystalline powder solid. Mildly sensitive to heat and shock. An extremely powerful explosive. Decomposes to emit toxic nitrogen oxide fumes. May explode under exposure to intense heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.

Names & identifiers

Preferred name: Nitrourea
IUPAC: nitrourea
English name: N-Nitrocarbamide
Molecular formula: CH3N3O3
Molecular weight: 105.05

Names & synonyms

NitroureaN-NitrocarbamideUREA, NITRO-1-NitroureaN-NitroureaNitro ureaUrea, N-nitro-UN0147UNII-3UA35787YZ3UA35787YZNITROUREA [MI]EINECS 209-144-0

Show more names

nitro-ure

NSC 14982NSC-14982DTXSID4060311UN-0147RefChem:166154DTXCID1041922209-144-0556-89-8

Database identifiers

CAS: 556-89-8
PubChem CID: 62372
DTXSID: DTXSID4060311
UNII: 3UA35787YZ
EC Number: 209-144-0
Nikkaji: J2.658A

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 92.8

Experimental & physicochemical properties

Physical Description · 1 item

Physicochemical properties

Melting point: 158.5 · 158.5 ºC (DEC.)
Boiling point: 197.01 °C · 197.01°C (rough estimate)
Density: 1.557 · 1.557±0.06 g/cm3(Predicted)
refractive index: 1.4451 · 1.4451 (estimate)
pka: pK (20°) 2.15
color: Crystals or leaflets or prisms from EtOH; orplatelets from EtOH/ligroin
FDA UNII: 3 UA35787YZ · 3UA35787YZ
NIST Chemistry Reference: Nitrourea(556-89-8)
EPA Substance Registry System: Urea, nitro- (556-89-8)
Symbol(GHS): 1 · GHS01,GHS07
Signal word: Danger
Hazard statements: 201 · H201-H302-H312-H315-H319-H332
Precautionary statements: 264 · P264-P270-P280-P261-P271-P301+P312-P330-P302+P352-P312-P362+P364-P332+P313-P305+P351+P338-P337+P313-P304+P340-P501
Safety Statements: 17 · 17-36/37/39-45
RIDADR: 147 · UN 0147
TSCA: TSCA listed
HazardClass: 1.1 D · 1.1D

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]

P210, P230, P240, P250, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P380, P372, P373, P401, 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.

Hazard information

DOT LabelExplosive 1.1D

Fire HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Health HazardsExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Reactive GroupAmides and Imides

Reactivity AlertsExplosive

Reactivity Profile · 1 item

Explosive mercury or silver salts are rather sensitive to heat and impact, while the pure material is much more insensitive. Organonitrate compounds, such as NITROUREA, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes.

Safety & protection

Fire FightingExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

First AidExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Nonfire Spill ResponseExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Isolation and EvacuationExcerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 112 [Explosives - Division 1.1, 1.2, 1.3 or 1.5]:

Safety data

tsca: TSCA listed
ridadr: UN 0147
Signal word: Danger
Symbol(GHS): GHS01,GHS07
safety_code: 17-36/37/39-45
hazard_class: 1.1D
Hazard statements: H201-H302-H312-H315-H319-H332
Precautionary statements: P264-P270-P280-P261-P271-P301+P312-P330-P302+P352-P312-P362+P364-P332+P313-P305+P351+P338-P337+P313-P304+P340-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUrea, N-nitro-: ACTIVE

Applications · 2 items

UsesExplosives.

General DescriptionA colorless to white crystalline powder solid. Mildly sensitive to heat and shock. An extremely powerful explosive. Decomposes to emit toxic nitrogen oxide fumes. May explode under exposure to intense heat or fire. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments.