Back to Search
1-Naphthyl Phosphate
CAS: 1136-89-6 | C10H9O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1136-89-6
Molecular Formula:
C10H9O4P
Molecular Mass:
224.15 g/mol
Names and Synonyms:
1-Naphthyl Phosphate
1-Naphthalenol, 1-(dihydrogen phosphate)
1-Naphthol, dihydrogen phosphate
1-Naphthalenol, dihydrogen phosphate
1-Naphthyl phosphate
α-Naphthyl phosphate
Naphthol 1-phosphate
α-Naphthol phosphate
Phosphoric acid α-naphthyl ester
1-Naphthyl dihydrogen phosphate
α-Naphthyl acid phosphate
Naphthyl dihydrogen phosphate
Identifiers:
SMILES:
O=P(O)(O)Oc1cccc2ccccc12
InChI:
InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
Key Properties
Melting Point
155-157 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.15 g/mol | CAS Common Chemistry |
| 224.15200000000002 g/mol | RDKit | |
| 224.02384539800002 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)OC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=YNXICDMQCQPQEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | 1-Naphthyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 2.3113 | RDKit |
| Molar Refractivity | 56.62010000000002 | RDKit |
