Basic information
- CAS
612-98-6- Standard SMILES
O=NN(Cc1ccccc1)c1ccccc1- InChIKey
BCIBCBXFXGKGBL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- Benzylphenylnitrosamine
- IUPAC
- N-benzyl-N-phenylnitrous amide
- English name
- Nitrosobenzylphenylamine
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
N-Benzyl-N-nitrosoanilineBenzylphenylnitrosamineBenzenemethanamine, N-nitroso-N-phenyl-N-Phenyl-N-nitrosobenzylamineBENZYLAMINE, N-NITROSO-N-PHENYL-N-NitrosophenylbenzylamineN-Nitroso-N-phenylbenzenemethanamineN-Nitroso-N-phenylbenzylamineNSC 5050NR5TY7SS45BRN 1819320N-Nitroso-N-phenyl-benzylamine
Show more names
BenzylphenylnitrosoamineNitrosobenzylphenylamineN-Nitroso-N-benzylanilineN-Phenyl-N-nitrosobenzenemethanamine
AI3-00487NSC-5050UNII-NR5TY7SS45DTXSID30606153-12-00-02335 (Beilstein Handbook Reference)N-PHENYL-N-BENZYLNITROSAMINENBenzylNnitrosoanilineNPhenylNnitrosobenzylamine
Database identifiers
- CAS
612-98-6- PubChem CID
- 11935
- DTXSID
DTXSID3060615- UNII
- NR5TY7SS45
- Nikkaji
- J2.996C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP3.38
Vapor Pressure0.000013 [mmHg]
Physicochemical properties
- Boiling point
- 352.09 °C · 352.09°C (rough estimate)
- Density
- 1.1128 · 1.1128 (rough estimate)
- refractive index
- 1.692 · 1.6920 (estimate)
- FDA UNII
- 5 TY7SS45 · NR5TY7SS45
- EPA Substance Registry System
- Benzenemethanamine, N-nitroso-N-phenyl- (612-98-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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 SummarySee NITROSAMINES.
Safety data
- tsca
- TSCA listed
- Toxicity
- mma-esc 2 mmol/plate GANNA2 75,8,84
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, N-nitroso-N-phenyl-: INACTIVE
Suppliers3 total
南京世洲生物科技有限公司13675144456 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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