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52805-46-6

Basic Information
CAS No.: 52805-46-6
Name: 3-Hydroxy-4-methoxybenzonitrile
Article Data: 29
Molecular Structure:
Molecular Structure of 52805-46-6 (3-Hydroxy-4-methoxybenzonitrile)
Formula: C8H7NO2
Molecular Weight: 149.149
Synonyms: 2-Methoxy-5-cyanophenol;
Density: 1.24 g/cm3
Boiling Point: 300.8 °C at 760 mmHg
Flash Point: 135.7 °C
PSA: 53.25000
LogP: 1.27248
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    3-Hydroxy-4-methoxybenzonitrile Chemical Properties Melting point 124 °C Boiling point 300.8±27.0 °C(Predicted) density 1.24±0.1 g/cm3(Predicted) pka 8.59±0.10(Predicted) CAS DataBase Reference 52805-46-

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    3-Hydroxy-4-methoxybenzonitrile

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    reagent grade ex stockAppearance:white or off-white crystalline powder Storage:Keep away of light,cool place Package:1L 5L 10L 25L bottle Application:pharma intermediate Transportation:by Fedex, ship or plane

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  • 3-Hydroxy-4-methoxybenzonitrile

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    52805-46-6

    3-Hydroxy-4-methoxybenzonitrile

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    52805-46-6 Application:intermediate

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    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

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    3-Hydroxy-4-methoxybenzonitrile

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    High quality suppliers Application:healing drugs

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  • 3-Hydroxy-4-methoxybenzonitrile

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    3-Hydroxy-4-methoxybenzonitrile

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    bulk?production Application:Pharmaceutical intermediates

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Specification

This chemical has the systematic name 3-Hydroxy-4-methoxybenzonitrile. With the CAS registry number 52805-46-6, it is also known as Benzonitrile, 3-hydroxy-4-methoxy-. Its molecular formula is C8H7NO2 and its molecular weight is 149.15. Additionally, its product categor y is Aromatic Nitriles.

Other characteristics of the 3-Hydroxy-4-methoxybenzonitrile can be summarised as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.25 Å2; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 39.21 cm3; (9)Molar Volume: 119.7 cm3; (10)Polarizability: 15.54×10-24cm3; (11)Surface Tension: 55.4 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 135.7 °C; (14)Enthalpy of Vaporization: 56.26 kJ/mol; (15)Boiling Point: 300.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000613 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1ccc(OC)c(O)c1
2.InChI: InChI=1/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
3.InChIKey: ASQHIJLQYYFUDN-UHFFFAOYAF