Basic information
- CAS
6268-32-2- Standard SMILES
NC(=O)N(N=O)c1ccccc1- InChIKey
ZJIKTJCGLLUNIJ-UHFFFAOYSA-N- Molecular formula
- C7H7N3O2
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.05382648
Names & identifiers
- Preferred name
- 1-Nitroso-1-phenylurea
- IUPAC
- 1-nitroso-1-phenylurea
- English name
- Nitrosophenylurea
- Molecular formula
- C7H7N3O2
- Molecular weight
- 165.15
Names & synonyms
1-nitroso-1-phenylureaUREA, N-NITROSO-N-PHENYL-Urea, 1-nitroso-1-phenyl-6268-32-2EI3CV902WDNSC-36238DTXSID00211735RefChem:1056106DTXCID30134226N-NITROSO-N-PHENYLUREANSC 36238BRN 1841800
Show more names
NitrosophenylureaN-Nitroso-N-phenyl-urea
N-nitrosophenylureaNSC36238UNII-EI3CV902WDSCHEMBL1096892AKOS006276786
Database identifiers
- CAS
6268-32-2- PubChem CID
- 22649
- DTXSID
DTXSID00211735- UNII
- EI3CV902WD
- Nikkaji
- J36.567J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Boiling point
- 292.97 °C · 292.97°C (rough estimate)
- Density
- 1.3539 · 1.3539 (rough estimate)
- refractive index
- 1.586 · 1.5860 (estimate)
- FDA UNII
- 3 CV902WD · EI3CV902WD
- Toxicity
- 10 mg/plate · mmo-sat 10 mg/plate TCMUE9 1,13,84
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses somnolence in subcutaneous lethal-dose studies of rats (LD50 = 150 mg/kg); [RTECS] See NITROSAMINES.
Safety data
- Toxicity
- mmo-sat 10 mg/plate TCMUE9 1,13,84
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…