Product Name

  • Name

    1-Nitrosohydantoin

  • EINECS
  • CAS No. 42579-28-2
  • Article Data1
  • CAS DataBase
  • Density 2.01g/cm3
  • Solubility
  • Melting Point
  • Formula C3H3N3O3
  • Boiling Point °Cat760mmHg
  • Molecular Weight 129.075
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. Many nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSO COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 42579-28-2 (1-Nitrosohydantoin)
  • Hazard Symbols
  • Synonyms 1-nitroso-2,4-imidazolidinedione;NHYD;2,4-Imidazolidinedione,1-nitroso;1-Nitrosohydantoin;Hydantoin,1-nitroso;
  • PSA 82.33000
  • LogP -0.56660

1-Nitrosohydantoin Chemical Properties

Product Name: 1-Nitrosohydantoin 
CAS Registry Number: 42579-28-2 
Synonyms: 1-Nitrosohydantoin ; NHYD ; 2,4-Imidazolidinedione, 1-nitroso- ; Hydantoin, 1-nitroso-
IUPAC Name: 1-nitrosoimidazolidine-2,4-dione 
Molecular Weight: 129.07422 [g/mol]
Molecular Formula: C3H3N3O3
XLogP3-AA: -1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Surface Tension: 106.4 dyne/cm
Density: 2.01 g/cm3 
Following is the molecular structure of 1-Nitrosohydantoin (CAS NO.42579-28-2) is:

1-Nitrosohydantoin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 470mg/kg (470mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 1523, 1979.

1-Nitrosohydantoin Consensus Reports

EPA Genetic Toxicology Program.

1-Nitrosohydantoin Safety Profile

Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. Many nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSO COMPOUNDS.

1-Nitrosohydantoin Specification

Descriptors computed from structure, you can know some information about 1-Nitrosohydantoin (CAS NO.42579-28-2) :9
Canonical SMILES: C1C(=O)NC(=O)N1N=O
InChI: InChI=1S/C3H3N3O3/c7-2-1-6(5-9)3(8)4-2/h1H2,(H,4,7,8)
InChIKey: UIDGJTUNLMQGLT-UHFFFAOYSA-N

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