1-Methyl-4-(4-nitrophenoxy)benzene
Basic information
- CAS
3402-74-2- Standard SMILES
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
OCIIHACECRRKPN-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 1-Methyl-4-(4-nitrophenoxy)benzene
- IUPAC
- 1-methyl-4-(4-nitrophenoxy)benzene
- English name
- p-(p-nitrophenoxy)toluene
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
1-methyl-4-(4-nitrophenoxy)benzene3402-74-2p-(p-Nitrophenoxy)tolueneMFCD00627972Benzene,1-methyl-4-(4-nitrophenoxy)-4-(4-nitrophenoxy)tolueneYL4LE2CZ98NSC-1402774-(P-TOLYLOXY)NITROBENZENEEINECS 222-276-3NSC1402771-(4-METHYLPHENOXY)-4-NITROBENZENE
Show more names
UNII-YL4LE2CZ98Oprea1_3965204-Nitrophenyl 4-tolyl etherEther, p-nitrophenyl p-tolyl4-methyl-4'-nitrodiphenyletherSCHEMBL5729076SCHEMBL6960847SCHEMBL8695353
Database identifiers
- CAS
3402-74-2- PubChem CID
- 76943
- DTXSID
DTXSID30187631- UNII
- YL4LE2CZ98
- EC Number
- 222-276-3
- Nikkaji
- J60.164K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 69 °C · 69°C
- Boiling point
- 371.13 °C · 371.13°C (rough estimate)
- Density
- 1.2084 · 1.2084 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- FDA UNII
- 4 LE2CZ98 · YL4LE2CZ98
- 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
Upstream raw materials
Related reactions
3 records
Compound notes
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