2-Nitrophenetole
Basic information
- CAS
610-67-3- Standard SMILES
CCOc1ccccc1[N+](=O)[O-]- InChIKey
XGLGESCVNJSAQY-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Nitrophenetole
- IUPAC
- 1-ethoxy-2-nitrobenzene
- English name
- 2-Nitrophenetole
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2-Nitrophenetole1-Ethoxy-2-nitrobenzene2-EthoxynitrobenzeneBenzene, 1-ethoxy-2-nitro-CCRIS 2331NSC 5404EINECS 210-232-6UNII-Q0268PNU8KBRN 2047308Q0268PNU8KAI3-00232NSC-5404
Show more names
2-NitrophenylethyletherNitrophenetoleO-NITROPHENETOLEo-nitro-phenetol2-EthoxynitrobenzolPhenetole, o-nitro-2-Nitrophenetole>2-EthoxynitrobenzeneORTHO-NITROPHENETOLE
NITROPHENETOLE, O-DTXSID8060589XGLGESCVNJSAQY-UHFFFAOYSA-O-NITROBENZENE ETHYL ETHER4-06-00-01250 (Beilstein Handbook Reference)oNitrophenetoleoNitroethoxybenzenePhenetole, onitro
Database identifiers
- CAS
610-67-3- PubChem CID
- 11889
- DTXSID
DTXSID8060589- ChEMBL
CHEMBL167876- UNII
- Q0268PNU8K
- EC Number
- 210-232-6
- Nikkaji
- J2.989K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesChemical shift
Physical DescriptionLiquid; [TCI America MSDS]
Physicochemical properties
- Melting point
- 1.1 °C · 1.1°C
- Boiling point
- 275 °C · 275 °C
- Density
- 1.19 · 1.19
- refractive index
- 1.541 to · 1.5410 to 1.5440
- Flash point
- 4 °C · 4 °C
- form
- clear liquid
- color
- Light yellow to Brown
- CAS DataBase Reference
- 610 · 610-67-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 268 PNU8K · Q0268PNU8K
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 SummaryMay cause irritation; [TCI America MSDS] See Nitrobenzene. See Phenetole.
Safety data
- tsca
- TSCA listed
- rtecs
- SI7942000
- hs_code
- 2909.30.6000
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-ethoxy-2-nitro-: INACTIVE
Applications
Uses2-Nitrophenetole can be used as a solvent, an intermediate for organic synthesis of dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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