-
Name
4-Amino-3-hydroxy-benzonitrile
- EINECS
- CAS No. 55586-26-0
- Article Data14
- CAS DataBase
- Density 1.332 g/cm3
- Solubility
- Melting Point 149-150 °C
- Formula C7H6N2O
- Boiling Point 314.103 °C at 760 mmHg
- Molecular Weight 134.137
- Flash Point 143.765 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-AMINO-3-HYDROXY-BENZONITRILE
- PSA 70.04000
- LogP 1.42728
4-Amino-3-hydroxy-benzonitrile Specification
The 4-Amino-3-hydroxy-benzonitrile, with the CAS registry number 55586-26-0, is also known as 2-Amino-5-cyano-phenol. Its molecular formula is C7H6N2O and its molecular weight is 134.14.
Other characteristics of the 4-Amino-3-hydroxy-benzonitrile can be summarised as followings: (1)ACD/LogP: 0.66; (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: 70.04 Å2; (7)Index of Refraction: 1.644; (8)Molar Refractivity: 36.466 cm3; (9)Molar Volume: 100.733 cm3; (10)Polarizability: 14.456×10-24cm3; (11)Surface Tension: 74.75 dyne/cm; (12)Density: 1.332 g/cm3; (13)Flash Point: 143.765 °C; (14)Enthalpy of Vaporization: 57.736 kJ/mol; (15)Boiling Point: 314.103 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cc(O)c(N)cc1
2.InChI: InChI=1/C7H6N2O/c8-4-5-1-2-6(9)7(10)3-5/h1-3,10H,9H2
3.InChIKey: HKZPOGZBKIWMPO-UHFFFAOYAH
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