Nitroharnstoff

Nitrourea

HCID 62372CAS 556-89-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NC(=O)N[N+](=O)[O-]
InChIKey: CMUOJBJRZUHRMU-UHFFFAOYSA-N
Summenformel: CH3N3O3
Durchschnittliche Molmasse: 105,05 g/mol
Monoisotopische Masse: 105,01744096

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: Nitrourea
IUPAC: nitrourea
Lokaler Name: Nitroharnstoff
Englischer Name: N-Nitrocarbamide
Summenformel: CH3N3O3
Molmasse: 105.05

Namen und Synonyme

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

Weitere Namen anzeigen

nitro-ure

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 101 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 92,8

Experimentelle und physikochemische Eigenschaften

Physical Description · 1 Eintrag

Physikochemische Eigenschaften

Schmelzpunkt: 158.5 · 158.5 ºC (DEC.)
Siedepunkt: 197.01 °C · 197.01°C (rough estimate)
Dichte: 1.557 · 1.557±0.06 g/cm3(Predicted)
Brechungsindex: 1.4451 · 1.4451 (estimate)
pka: pK (20°) 2.15
Farbe: Crystals or leaflets or prisms from EtOH; orplatelets from EtOH/ligroin
NIST chemische Informationen: Nitrourea(556-89-8)
EPA chemische Informationen: Urea, nitro- (556-89-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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 Eintrag

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.