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930-55-2

930-55-2 Structure

930-55-2 Structure
IdentificationMore
[Name]

N-NITROSOPYRROLIDINE
[CAS]

930-55-2
[Synonyms]

1-NITROSOPYRROLIDINE
N-NITROSOPYRROLIDINE
1-nitroso-pyrrolidin
1-Pyrrolidinamine, N-nitroso-
Nitrosopyrrolidine
n-nitroso-1-pyrrolidinamin
N-Nitrosopyrrolidin
n-nitrosopyrrolidin[german]
n-n-pyr
No-Pyr
NPYR
n-pyr
rcrawastenumberu180
tetrahydro-n-nitroso-pyrrol
N-NITROSOPYRROLIDINE ISOPAC
Pyrrolidine, 1-nitroso-
[EINECS(EC#)]

213-218-8
[Molecular Formula]

C4H8N2O
[MDL Number]

MFCD00003166
[Molecular Weight]

100.12
[MOL File]

930-55-2.mol
Chemical PropertiesBack Directory
[Appearance]

N-Nitrosopyrrolidine is a yellow liquid.
[Boiling point ]

214 °C(lit.)
[density ]

1.085 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.489(lit.)
[Fp ]

182 °F
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Sparingly), Ethyl Acetate, Methanol (Slightly)
[form ]

Oil
[pka]

-3.14±0.20(Predicted)
[color ]

Pale Yellow to Yellow
[InChI]

InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
[InChIKey]

WNYADZVDBIBLJJ-UHFFFAOYSA-N
[SMILES]

N1(N=O)CCCC1
[CAS DataBase Reference]

930-55-2(CAS DataBase Reference)
[IARC]

2B (Vol. 17, Sup 7) 1987
[EPA Substance Registry System]

N-Nitrosopyrrolidine (930-55-2)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R40:Limited evidence of a carcinogenic effect.
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

UY1575000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Carc. 2
[Safety Profile]

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by ingestion and subcutaneous routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
[Hazardous Substances Data]

930-55-2(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 900 mg/kg (Druckrey)
Hazard InformationBack Directory
[General Description]

Yellow liquid found in certain food products and tobacco smoke. Probably a carcinogen.
[Reactivity Profile]

A cyclic nitrosamine. Nitrated organics, such as N-NITROSOPYRROLIDINE(930-55-2), range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction.
[Air & Water Reactions]

Soluble in water.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: Flammable.
[Potential Exposure]

N-Nitrosopyrrolidine is a cyclic nitrosamine and a research chemical. Not commercially produced in the U.S.
[Fire Hazard]

Combustible.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2810 Toxic liquids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required. UN3082 Environmentally hazardous substances, liquid, n.o.s., Hazard Class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required liquid, n.o.s., Hazard Class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.
[Description]

N-Nitrosopyrrolidine (NPYR) is a nitrosamine compound that is used primarily as a research chemical and is not produced commercially. There is the possibility of generating NPYR after frying in dry-cured bacon. The major amine precursors to NPYR in cooked bacon are free proline in the adipose tissue and to a lesser extent, collagenous connective tissues. When proline peptides were heated with nitrite at pH 3.4, small amounts of NPYR were formed from all tested peptides. There are several potential sources of exposure of man to this group of potent carcinogens. Certain foods were thought to be derived from the interaction of nitrite with secondary amines in the food, either spontaneously or by the agency of bacteria. Recently the possibility that nitrosamines may be formed from secondary amines and nitrite in the gastrointestinal tract has been explored. The acid conditions that prevail in the human stomach favor the nitrosation of dimethylamine. In addition, at neutral pH, many secondary amines can be nitrosated by nitrite or nitrate in the presence of intestinal bacteria, or the cecal contents of the rat, and soluble enzymes which catalyze the N-nitrosation of several secondary amines have been extracted from two microorganisms. The rate of nitrosamine formation depends greatly on the basicity of the amine; the less basic amines such as diphenylamine and pyrrolidine are nitrosated far more readily than the strongly basic dimethylamine and diethylamine.
[Chemical Properties]

Light-Yellow Oil
[Chemical Properties]

N-Nitrosopyrrolidine is a yellow liquid.
[Waste Disposal]

Under 40 CFR 261.5 small quantity generators of this waste may qualify for partial exclusion from hazardous waste regulations. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal.
[Uses]

1-Nitrosopyrrolidine is one of the N-nitroso compounds (NOCs) implicated in human colon carcinogenesis (1,2,3) but the toxicological mechanisms involved have not been elucidated. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
[Uses]

One of the N-nitroso compounds (NOCs) implicated in human colon carcinogenesis, but the toxicological mechanisms involved have not been elucidated.
[Definition]

ChEBI: N-Nitrosopyrrolidine is a member of pyrrolidines.
[Carcinogenicity]

N-Nitrosopyrrolidine is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
[Environmental Fate]

It is a yellow liquid at room temperature. It is totally soluble in water with solubility of 1.00×10+6 mg l-1 and also is soluble in organic liquids and lipids. Log Pow is -0.19 that expected to move readily from water to soil, sediment, or biota. According to Henry’s law constant 4.89×10-8 atmm3 mol-1 and vapor pressure 0.06 mmHg in 20 ℃, volatilization from water and solid surface is expected to be rapid and an important fate process.
[Toxicity evaluation]

2-OHTHF and several other reactive electrophilic intermediates can bind with proteins and form DNA adducts mainly with guanines.
Spectrum DetailBack Directory
[Spectrum Detail]

N-NITROSOPYRROLIDINE(930-55-2)MS
N-NITROSOPYRROLIDINE(930-55-2)1HNMR
N-NITROSOPYRROLIDINE(930-55-2)13CNMR
N-NITROSOPYRROLIDINE(930-55-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

930-55-2(sigmaaldrich)
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930-55-2