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| CAS No.: | 1136-89-6 |
|---|---|
| Name: | 1-NAPHTHYL PHOSPHATE |
| Molecular Structure: | |
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| Formula: | C10H9O4P |
| Molecular Weight: | 224.153 |
| Synonyms: | Phosphoric acid mono-naphthalen-1-yl ester; |
| EINECS: | 220-171-7 |
| Density: | 1.492 g/cm3 |
| Melting Point: | 157-159 °C |
| Boiling Point: | 451 °C at 760 mmHg |
| Flash Point: | 226.6 °C |
| Solubility: | H2O: 0.1 g/mL |
| Appearance: | slightly turbid, colorless |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 76.57000 |
| LogP: | 2.31130 |
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Specification
The 1-Naphthalenol,1-(dihydrogen phosphate), with the CAS registry number 1136-89-6, is also known as Phosphoric acid mono-naphthalen-1-yl ester. It belongs to the product categories of Organic Building Blocks; Organic Phosphates/Phosphites; Phosphorus Compounds. Its EINECS registry number is 220-171-7. This chemical's molecular formula is C10H9O4P and molecular weight is 224.1498. What's more, its systematic name is called Naphthalen-1-yl dihydrogen phosphate.
Physical properties about 1-Naphthalenol,1-(dihydrogen phosphate) are: (1)ACD/LogP: 1.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -2.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 56.08 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 22.23×10-24 cm3; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.492 g/cm3; (19)Flash Point: 226.6 °C; (20)Enthalpy of Vaporization: 74.82 kJ/mol; (21)Boiling Point: 451 °C at 760 mmHg; (22)Vapour Pressure: 6.38E-09 mmHg at 25 °C; (23)Melting Point: 157-159 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)Oc2cccc1ccccc12
(2) InChI: InChI=1/C10H9O4P/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,11,12,13)
(3) InChIKey: YNXICDMQCQPQEW-UHFFFAOYAR