5-Methyl-2-nitrobenzonitrile
Basic information
- CAS
64113-86-6- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C#N)c1- InChIKey
USQNWFKYQFQGLB-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2-nitrobenzonitrile
- IUPAC
- 5-methyl-2-nitrobenzonitrile
- English name
- 5-Methyl-2-nitrobenzonitrile
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
5-Methyl-2-nitrobenzonitrile64113-86-6MFCD00267507Benzonitrile, 5-methyl-2-nitro-SCHEMBL13436685-Methyl-2-nitrobenzonitrile #DTXSID60983305CL8230AKOS00627420864686-33-5DS-0901AC-26102
Show more names
6-nitro-m-tolunitrileBenzonitrile,5-Methyl-2-nitro-5-METHYL-2-NITROBENZONITRILE ISO 9001：2015 REACHCyclohepta[c]pyrazole-3-carboxylicacid,2,4,5,6,7,11-hexahydro-,ethylester
SY107554CS-0043876CHLORAMINEB2-Cyano-4-methylnitrobenzene5-Methyl-2-nitro-benzonitrileSCHEMBL10398270SCHEMBL16958745FM69815
Database identifiers
- CAS
64113-86-6- Nikkaji
- J1.100.579I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 92 °C · 92 °C
- Boiling point
- 338.9 · 338.9±30.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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