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Benzonitrile,2,4-dihydroxy- (64419-24-5)

Identification
Name:Benzonitrile,2,4-dihydroxy-
Synonyms:2,4-Dihydroxybenzonitrile;
CAS:64419-24-5
EINECS: 264-886-2
Molecular Formula: C7H5 N O2
Molecular Weight: 135.1215
InChI: InChI=1/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
Molecular Structure: (C7H5NO2) 2,4-Dihydroxybenzonitrile;
Properties
Flash Point: 339.4 °C at 760 mmHg
Boiling Point: 339.4 °C at 760 mmHg
Density:1.42g/cm3
Refractive index:1.647
Specification:

2,4-Dihydroxybenzonitrile , with the CAS register number 64419-24-5 , is also known to us as benzonitrile,2,4-dihydroxy- and TL8007043 .

Characteristics of this kind of chemical are as followings: (1)ACD/LogP:  1.57  ; (2)ACD/LogD (pH 5.5):  1.55  ; (3)ACD/LogD (pH 7.4):  0.91  ; (4)ACD/BCF (pH 5.5):  8.82  ; (5)ACD/BCF (pH 7.4):  2  ; (6)ACD/KOC (pH 5.5):  163.37  ; (7)ACD/KOC (pH 7.4):  37.11  ; (8)#H bond acceptors:  3  ; (9)#H bond donors:  2  ; (10)#Freely Rotating Bonds:  2  ; (11)Polar Surface Area:  42.25  ; (12)Index of Refraction:  1.647  ; (13)Molar Refractivity:  34.37 cm3  ; (14)Molar Volume:  94.5 cm ; (15)Polarizability:  13.62 ×10-24cm3  ; (16)Surface Tension:  80.8 dyne/cm  ; (17)Density:  1.42 g/cm3  ; (18)Flash Point:  159.1 °C  ; (19)Enthalpy of Vaporization:  60.59 kJ/mol  ; (20)Boiling Point:  339.4 °C at 760 mmHg  ; (21)Vapour Pressure:  4.69E-05 mmHg at 25°C .

This is white or light yellow powder and while conseving this kind of chemical, you should need to pay attention: seal and store it a cool and dry environment. As for its usage, it could be applied in the pharmaceutical intermediates.

In addition, you could also obtain the molecular structure by using converting the following data information:
SMILES: N#Cc1ccc(O)cc1O
InChI: InChI=1/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKey: JFZAJWBGISKERI-UHFFFAOYAX
Std. InChI: InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H

As for its market information, there are many supplier, such as Capot Chemical Co., Ltd which could provide this chemical with the packing of 1G,5G,10G,25G and BePharm,Ltd. which could provide with the packing of 1g,10g,50g,100g,500g and 1KG. Except these, there are many others like Kouting (Shanghai) Chemical Co., Ltd.

Flash Point: 339.4 °C at 760 mmHg
Safety Data