Basic information
- CAS
775-11-1- Standard SMILES
NC(=O)N(Cc1ccccc1)N=O- InChIKey
HBOGKXXMRLVGFX-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Names & identifiers
- Preferred name
- N-Nitroso-N-(phenylmethyl)urea
- IUPAC
- 1-benzyl-1-nitrosourea
- English name
- N-benzylnitrosourea
- Molecular formula
- C8H9N3O2
- Molecular weight
- 179.18
Names & synonyms
N-Benzyl-N-nitrosourea775-11-1N-Nitroso-N-benzylureaN-BenzylnitrosoureaUrea, N-nitroso-N-(phenylmethyl)-Urea, 1-benzyl-1-nitroso-66R25GI5ERNSC-67523DTXSID00228202N-NITROSO-N-(PHENYLMETHYL)UREARefChem:829222DTXCID80150693
Show more names
N-Nitroso-N-(benzyl)urea
1-benzyl-1-nitrosoureaN-NitrosobenzylureaUrea,N-nitroso-N-(phenylmethyl)-BenzylnitrosoureaNitrosobenzylureaCCRIS 4432NSC 67523BRN 0642551
Database identifiers
- CAS
775-11-1- PubChem CID
- 96326
- DTXSID
DTXSID00228202- UNII
- 66R25GI5ER
- EC Number
- 990-448-1
- Nikkaji
- J58.069D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 311.69 °C · 311.69°C (rough estimate)
- Density
- 1.2896 · 1.2896 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- FDA UNII
- 66 R25GI5ER · 66R25GI5ER
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 1 mg/plate · mmo-sat 1 mg/plate MUREAV 68,1,79
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Toxicity
- mmo-sat 1 mg/plate MUREAV 68,1,79
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
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
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