Nitrosamine

HCID 37183CAS 35576-91-1

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Grundinformationen

Standard-SMILES: NN=O
InChIKey: XKLJHFLUAHKGGU-UHFFFAOYSA-N
Summenformel: H2N2O
Durchschnittliche Molmasse: 46,029 g/mol
Monoisotopische Masse: 46,01671269

Namen und Bezeichner

Bevorzugter Name: Nitrosamine
IUPAC: nitrous amide
Englischer Name: Nitrosamine
Summenformel: H2N2O
Molmasse: 46.03

Namen und Synonyme

Nitrosaminenitrous amideNitrosamide35576-91-1N-NITROSAMINELGB75A6POHNSC-223080DTXSID2074037NSC223080RefChem:166119DTXCID6039053CHEBI:35803

Weitere Namen anzeigen

NitsoamideNitrosoamineNitrosamide (8CI,9CI)35576-91-1---NitrosamineBenserazide Impurity 11 (Nitrosamine)

hydroxydiazeneHYDROXYDIIMIDENITROXYLAMIDEketohydrazineHydroxydiiminediazene-N-oxideNSC 223080UNII-LGB75A6POH

Datenbank-Bezeichner

CAS: 35576-91-1
PubChem CID: 37183
DTXSID: DTXSID2074037
UNII: LGB75A6POH
Nikkaji: J332.210F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 55,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 3
Formalladung: 0
Komplexität: 10

Physikochemische Eigenschaften

Schmelzpunkt: 62 °C · 62 °C
Siedepunkt: 191 · 191-195 °C
Dichte: 1.53 · 1.53±0.1 g/cm3(Predicted)
pka: -4.2 · -4.20±0.70(Predicted)
EPA chemische Informationen: Nitrosamine (35576-91-1)

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards Summary · 1 Eintrag

The acute toxicity of the dialkylnitrosamines decreases with increasing chain length. [ACGIH] Appreciation of the carcinogenicity of the nitrosamines has led to their characterization in many occupational and environmental circumstances. N-nitrosodimethylamine (NDMA) has caused fatal hepatic necrosis after acute exposure and liver cirrhosis after chronic exposure. [LaDou, p. 507-8]

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity AlertsStrong Oxidizing Agent

Reactivity ProfileNitrated organics, such as NITROSAMINES, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Nitrosamines are produced in foundry, tanning, and rubber manufacturing processes. Nitrosamines are carcinogens in experimental animals. [Hawley] Sources of exposure include cigarette smoking, cured or smoked meat and fish, metalworking fluids, rubber vulcanization, leather tanning, and endogenous nitrosation of drugs in the stomach. [Rom, p. 1229-31]

Metal Preparation and Pouring [Category: Foundry]；Metal Machining [Category: Heat or Machine]；Leather Tanning and Processing [Category: Industry]

Smoking cigarettes [Category: Food & Drugs]