1,2-Dimethyl-3-(4-nitrophenoxy)benzene
Basic information
- CAS
23471-68-3- Standard SMILES
Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1C- InChIKey
OZSVRVYLRLYMIQ-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 1,2-Dimethyl-3-(4-nitrophenoxy)benzene
- IUPAC
- 1,2-dimethyl-3-(4-nitrophenoxy)benzene
- English name
- 1,2-dimethyl-3-(4-nitrophenoxy)benzene
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
1,2-Dimethyl-3-(4-nitrophenoxy)benzene23471-68-3RefChem:216075Oprea1_348140SCHEMBL1979596DTXSID601283829STK257630AKOS0032441172,3-dimethylphenyl 4-nitrophenyl ether1,2-Dimethyl-3-(4-nitrophenoxy)benzene #Benzene,1,2-dimethyl-3-(4-nitrophenoxy)-DB-146950
Show more names
Benzene, 1,2-dimethyl-3-(4-nitrophenoxy)-AK-918/40097208
Database identifiers
- CAS
23471-68-3- PubChem CID
- 618129
- DTXSID
DTXSID601283829
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 140 · 140-143 °C(Press: 0.1 Torr)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
4 records
Compound notes
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