1-(2-Methylpropyl)-4-nitrobenzene
Basic information
- CAS
10342-60-6- Standard SMILES
CC(C)Cc1ccc([N+](=O)[O-])cc1- InChIKey
DCYMLRJKFWGXEC-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 1-(2-Methylpropyl)-4-nitrobenzene
- IUPAC
- 1-(2-methylpropyl)-4-nitrobenzene
- English name
- 1-isobutyl-4-nitrobenzene
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
1-Isobutyl-4-nitrobenzene10342-60-61-(2-methylpropyl)-4-nitrobenzeneDTXSID00145829RefChem:1054030DTXCID9068320233-744-1EINECS 233-744-1MFCD00130032Benzene,1-(2-methylpropyl)-4-nitro-4-Isobutylnitrobenzene1-isobutyl-4-nitro-benzene
Show more names
1-ISOBUTYL-4-NITROBENZENE（WS201491）
P64U4AK7EC4-NITROISOBUTYLBENZENE1-(2-Methylpropyl)-4-nitro-benzene1-Nitro-4-isobutylbenzeneBenzene, 1-(2-methylpropyl)-4-nitro-mononitro-isobutylbenzeneUNII-P64U4AK7ECP-ISOBUTYLNITROBENZENE
Database identifiers
- CAS
10342-60-6- PubChem CID
- 82560
- DTXSID
DTXSID00145829- UNII
- P64U4AK7EC
- EC Number
- 233-744-1
- Nikkaji
- J236.778E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- -34 °C · -34 °C
- Boiling point
- 125 · 125-126 °C(Press: 3 Torr)
- Density
- 1.0774 g/cm3 · 1.0774 g/cm3(Temp: 4 °C)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to brown Liquid
- FDA UNII
- 64 U4AK7EC · P64U4AK7EC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H402
- Precautionary statements
- 501 · P501-P261-P273-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H402
- Precautionary statements
- P501-P261-P273-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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