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5315-79-7

Basic Information
CAS No.: 5315-79-7
Name: 1-Hydroxypyrene
Molecular Structure:
Molecular Structure of 5315-79-7 (1-Hydroxypyrene)
Formula: C16H10O
Molecular Weight: 218.25
Synonyms: 1-Hydroxypyrene;3-Hydroxypyrene;3-Pyrenol;NSC 30968;
EINECS: 624-224-9
Density: 1.36 g/cm3
Melting Point: 179-182 °C(lit.)
Boiling Point: 437.4 °C at 760 mmHg
Flash Point: 213 °C
Solubility:
Appearance: Pale Yellow Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
Transport Information:
PSA: 20.23000
LogP: 4.28960
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    1-HYDROXYPYRENE Chemical Properties Melting point 179-182 °C (lit.) Boiling point 298.94°C (rough estimate) density 1.1146 (rough estimate) refractive index 1.4600 (estimate) storage temp. Refrigerator pka 9.40±0

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  • 1-Hydroxypyrene

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    5315-79-7

    5315-79-7

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  • 1-HYDROXYPYRENE

  • Casno:

    5315-79-7

    1-HYDROXYPYRENE

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Specification

The 1-Pyrenol is an organic compound with the formula C16H10O. The IUPAC name of this chemical is pyren-1-ol. With the CAS registry number 5315-79-7, it is also named as 1-hydroxypyrene. The product's categories are Various Metabolites and Impurities; Metabolites. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Pyrenol are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.43; (3)ACD/LogD (pH 7.4): 4.43; (4)ACD/BCF (pH 5.5): 1381.21; (5)ACD/BCF (pH 7.4): 1367.72; (6)ACD/KOC (pH 5.5): 6157.18; (7)ACD/KOC (pH 7.4): 6097.03; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.895; (13)Molar Refractivity: 74.34 cm3; (14)Molar Volume: 160.4 cm3; (15)Polarizability: 29.47×10-24cm3; (16)Surface Tension: 70.4 dyne/cm; (17)Density: 1.36 g/cm3; (18)Flash Point: 213 °C; (19)Enthalpy of Vaporization: 72.08 kJ/mol; (20)Boiling Point: 437.4 °C at 760 mmHg; (21)Vapour Pressure: 2.92E-08 mmHg at 25°C.

Preparation of 1-Pyrenol: this chemical can be prepared by pyrene. This reaction will need reagent 1,3,6,8-tetrabutylpyrimido<5,4-g>pteridine-2,4,5,7(1H,3H,6H,8H)-tetraone 10-oxide and solvent acetonitrile. The reaction time is 40 min. The yield is about 55%.

1-Pyrenol can be prepared by pyrene

Uses of 1-Pyrenol: it can be used to produce 1-methoxymethoxy-pyrene by heating. It will need reagent dimethoxymethane, 4 Angstroem molecular sieves, p-toluenesulfonic acid and solvent CH2Cl2 with reaction time of 48 hours. The yield is about 74%.

1-Pyrenol can be used to produce 1-methoxymethoxy-pyrene

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc4ccc2ccc1cccc3c1c2c4cc3
(2)InChI: InChI=1/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
(3)InChIKey: BIJNHUAPTJVVNQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
(5)Std. InChIKey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N