Basic information
- CAS
14309-42-3- Standard SMILES
CCCCCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
BFKGHSXQYBELBN-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- Benzoic acid, 4-nitro-, pentyl ester
- IUPAC
- pentyl 4-nitrobenzoate
- English name
- pentyl 4-nitrobenzoate
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
14309-42-3Benzoic acid, 4-nitro-, pentyl esterEINECS 238-247-3DTXSID7065752RefChem:566040DTXCID3034666Pentyl 4-nitrobenzoateAmyl p-nitrobenzoatePentyl 4-nitrobenzoate #SCHEMBL109374794-Nitrobenzoic acid, pentyl esterNS00024651
Show more names
4-Nitrobenzoic acid pentyl ester
Database identifiers
- CAS
14309-42-3- PubChem CID
- 84341
- DTXSID
DTXSID7065752- EC Number
- 238-247-3
- Nikkaji
- J216.956H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 11.2 °C · 11.2 °C
- Boiling point
- 150 · 150-161 °C(Press: 4 Torr)
- Density
- 1.141 g/cm3 · 1.1410 g/cm3
- EPA Substance Registry System
- 4 · Benzoic acid, 4-nitro-, pentyl ester (14309-42-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-nitro-, pentyl ester: INACTIVE
Suppliers2 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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