Nitrourea
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Basic information
- CAS
556-89-8- 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 propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 101 Ų
- 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
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.
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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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.
DOT Hazard Classification
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationUrea, N-nitro-: ACTIVE
Applications
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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
53 records
Compound notes
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