Basic information
- CAS
54106-40-0- Standard SMILES
Cc1ccccc1Oc1ccccc1[N+](=O)[O-]- InChIKey
GIPFZNBCINBEIJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 1-Methyl-2-(2-nitrophenoxy)benzene
- IUPAC
- 1-methyl-2-(2-nitrophenoxy)benzene
- English name
- o-(o-nitrophenoxy)toluene
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
1-methyl-2-(2-nitrophenoxy)benzene54106-40-0o-(o-Nitrophenoxy)toluene1-(2-methylphenoxy)-2-nitrobenzeneMFCD002707682-Nitrophenyl 2-methylphenyl etherEINECS 258-977-6NSC131289Benzene, 1-methyl-2-(2-nitrophenoxy)-SCHEMBL8973495SCHEMBL11147387DTXSID30871427
Show more names
GIPFZNBCINBEIJ-UHFFFAOYSA-NAKOS030253251NSC 131289NSC-131289AS-93887SY391548NS00057040G68321
Database identifiers
- CAS
54106-40-0- PubChem CID
- 97540
- DTXSID
DTXSID30871427- EC Number
- 258-977-6
- Nikkaji
- J60.190J
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 264
Physicochemical properties
- Melting point
- 39.5 °C · 39.5°C
- Boiling point
- 371.13 °C · 371.13°C (rough estimate)
- Density
- 1.195 · 1.1950
- refractive index
- 1.55 · 1.5500 (estimate)
Chemistry & industry
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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