Basic information
- CAS
623-11-0- Standard SMILES
Cc1ccc(N=O)cc1- InChIKey
NYJYFSGMYHSTNZ-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276385
Names & identifiers
- Preferred name
- 1-Methyl-4-nitrosobenzene
- IUPAC
- 1-methyl-4-nitrosobenzene
- English name
- p-Nitrosotoluene
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
1-Methyl-4-nitrosobenzene4-Nitrosotoluene623-11-0p-MethylnitrosobenzeneTOLUENE, p-NITROSO-Benzene, 1-methyl-4-nitroso-Para-nitrosotolueneDTXSID00211356RefChem:100169DTXCID00133847p-Nitrosotoluene4-Methylnitrosobenzene
Show more names
Nifedipine Impurity 381-Nitroso-4-methylbenzene
4-nitroso-tolueneEINECS 210-771-74-Methyl-1-nitrosobenzene1-methyl-4-nitroso-benzeneBRN 18546134-Nitroso-toluolNitrosotoluene, p-M3WV5E5JWJ
Database identifiers
- CAS
623-11-0- PubChem CID
- 12166
- DTXSID
DTXSID00211356- UNII
- M3WV5E5JWJ
- EC Number
- 210-771-7
- Nikkaji
- J3.006F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 48 °C · 48 °C
- Boiling point
- 196.2 · 196.2±19.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
- InChIKey
- NYJYFSGMYHSTNZ-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=C(N=O)C=C1
- FDA UNII
- 3 WV5E5JWJ · M3WV5E5JWJ
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海隆盛化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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