p-Nitrophenyl laurate
Basic information
- CAS
1956-11-2- Standard SMILES
CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YNGNVZFHHJEZKD-UHFFFAOYSA-N- Molecular formula
- C18H27NO4
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.19400834
Names & identifiers
- Preferred name
- p-Nitrophenyl laurate
- IUPAC
- (4-nitrophenyl) dodecanoate
- English name
- 4-Nitrophenyl laurate
- Molecular formula
- C18H27NO4
- Molecular weight
- 321.41
Names & synonyms
4-Nitrophenyl laurate1956-11-2p-Nitrophenyl lauratepara-nitrophenyl laurateDTXSID10173234RefChem:100106DTXCID3095725217-796-24-Nitrophenyl dodecanoate(4-nitrophenyl) dodecanoateDodecanoic acid 4-nitrophenyl esterLauric Acid 4-Nitrophenyl Ester
Show more names
4-NitrophenylLaurate>P-NitrophenylLaurateA.R.4-NITROPHENYL LAURATE 98%Lauric acid p-nitrophenyl esterDodecanoic acid p-nitrophenyl esterDODECONOIC ACID 4-NITROPHENYL ESTER
p-nitrophenyl dodecanoateMFCD000477304-Nitrophenyllaurateorb2308661orb2900714SCHEMBL1916980BDBM23139EINECS 217-796-2
Database identifiers
- CAS
1956-11-2- PubChem CID
- 74778
- DTXSID
DTXSID10173234- EC Number
- 217-796-2
- Nikkaji
- J199.781E
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 46 °C · ~46 °C
- Boiling point
- 432.6 · 432.6±28.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- almost transparency in hot Methanol
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1889084 · 1889084
- InChI
- 1S/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3
- InChIKey
- YNGNVZFHHJEZKD-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
- CAS DataBase Reference
- 1956 · 1956-11-2(CAS DataBase Reference)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 83 · NA.83
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
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
Regulatory InformationDodecanoic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29159000
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Nitrophenyl Laurate is Lauric Acid derivative displaying inhibitory activity against gram-positive and/or gram-negative organisms.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…