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Benzonitrile, 3-amino-4-hydroxy-

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Name

Benzonitrile, 3-amino-4-hydroxy-

EINECS N/A
CAS No. 14543-43-2 Density 1.33 g/cm3
PSA 70.04000 LogP 1.42728
Solubility N/A Melting Point 151-153℃
Formula C7H6N2O Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 134.137 Flash Point 162.5 °C
Transport Information 3439 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 14543-43-2 (2-AMINO-4-CYANO-PHENOL) Hazard Symbols R20/21/22-36/37/38:;
Synonyms

2-Amino-4-cyanophenol;3-Amino-4-hydroxybenzonitrile;

Article Data 30

Benzonitrile, 3-amino-4-hydroxy- Specification

This chemical is called Benzonitrile, 3-amino-4-hydroxy-, and its systematic name is 3-amino-4-hydroxybenzonitrile. With the molecular formula of C7H6N2O, its molecular weight is 134.14. The CAS registry number of this chemical is 14543-43-2. Additionally, its product categories are Amines; Phenyls & Phenyl-Het.

Other characteristics of the Benzonitrile, 3-amino-4-hydroxy- can be summarised as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 36.26 Å2; (7)Index of Refraction: 1.643; (8)Molar Refractivity: 36.46 cm3; (9)Molar Volume: 100.7 cm3; (10)Polarizability: 14.45×10-24cm3; (11)Surface Tension: 74.7 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 162.5 °C; (14)Enthalpy of Vaporization: 61.25 kJ/mol; (15)Boiling Point: 345.1 °C at 760 mmHg; (16)Vapour Pressure: 3.15E-05 mmHg at 25°C.

Production method of this chemical: The Benzonitrile, 3-amino-4-hydroxy- could be obtained by the reactant of 4-hydroxy-3-nitro-benzonitrile. This reaction needs the reagent of SnCl2, conc. HCl. The yield is 84 %. In addition, this reaction should be taken for 3 hours at the ambient temperature.

Uses of this chemical: The Benzonitrile, 3-amino-4-hydroxy- could react with dithiocarbonic acid O-ethyl ester; potassium salt, and obtain the 2-thioxo-2,3-dihydro-benzooxazole-5-carbonitrile. This reaction needs the reagent of pyridine. The yield is 86 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating and harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1ccc(O)c(N)c1
2.InChI: InChI=1/C7H6N2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,9H2
3.InChIKey: ZEWCASRNRWXXSO-UHFFFAOYAR

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