ニトロ尿素

Nitrourea

HCID 62372CAS 556-89-8

基本情報

標準SMILES: NC(=O)N[N+](=O)[O-]
InChIKey: CMUOJBJRZUHRMU-UHFFFAOYSA-N
分子式: CH3N3O3
平均分子量: 105.05 g/mol
単同位体質量: 105.01744096

概要

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.

名称と識別子

優先名称: Nitrourea
IUPAC: nitrourea
現地名: ニトロ尿素
英語名: N-Nitrocarbamide
分子式: CH3N3O3
分子量: 105.05

名称と別名

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

名称をさらに表示

ニトロ尿素1-ニトロ尿素N-ニトロ尿素nitro-ure

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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.9
極性表面積: 101 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 92.8

実験および物理化学的性質

Physical Description · 1 件

物理化学的性質

融点: 158.5 · 158.5 ºC (DEC.)
沸点: 197.01 °C · 197.01°C (rough estimate)
比重(密度): 1.557 · 1.557±0.06 g/cm3(Predicted)
屈折率: 1.4451 · 1.4451 (estimate)
酸解離定数(Pka): pK (20°) 2.15
色: エタノールからの結晶またはリーフレットまたはプリズム; エタノール/石油からの軽油
NISTの化学物質情報: Nitrourea(556-89-8)
EPAの化学物質情報: Urea, nitro- (556-89-8)

化学的性質

化学的特性White, crystalline powder.Slightly soluble in water; soluble in alcohol, acetone, and acetic acid.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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 件

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.

安全と保護具

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]:

安全データ

tsca: TSCA listed
ridadr: UN 0147
化審法: (2)-1741
消防法: 危-5-II
safety_code: 17-36/37/39-45
hazard_class: 1.1D

化学と産業

用途と製造

General Manufacturing InformationUrea, N-nitro-: ACTIVE

応用分野 · 2 件

使用Explosives.

一般的な説明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.