니트로우리아

Nitrourea

HCID 62372CAS 556-89-8

기본 정보

표준 SMILES: NC(=O)N[N+](=O)[O-]
InChIKey: CMUOJBJRZUHRMU-UHFFFAOYSA-N
분자식: CH3N3O3
평균 분자량: 105.05 g/mol
단동위원소 질량: 105.01744096

개요

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.

이름 및 식별자

우선 이름: Nitrourea
IUPAC: nitrourea
현지명: 니트로우리아
영어명: N-Nitrocarbamide
분자식: CH3N3O3
분자량: 105.05

이름 및 동의어

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

이름 더 보기

니트로우리아nitro-ure

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 92.8

실험 및 물리화학적 성질

Physical Description · 1건

물리화학적 성질

녹는점: 158.5 · 158.5 ºC (DEC.)
끓는 점: 197.01 °C · 197.01°C (rough estimate)
밀도: 1.557 · 1.557±0.06 g/cm3(Predicted)
굴절률: 1.4451 · 1.4451 (estimate)
산도 계수 (pKa): pK (20°) 2.15
색상: 에탄올에서 벗겨지기 쉬운 결정의 형성
NIST: Nitrourea(556-89-8)
EPA: Urea, nitro- (556-89-8)

화학적 성질

White, crystalline powder.Slightly soluble in water; soluble in alcohol, acetone, and acetic acid.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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.

안전 및 보호

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]:

안전 데이터

tsca: TSCA listed
ridadr: UN 0147
safety_code: 17-36/37/39-45
위험 등급: 1.1D

화학 및 산업

용도 및 제조

General Manufacturing InformationUrea, N-nitro-: ACTIVE

응용 분야 · 2건

용도Explosives.

일반 설명A 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.