3-Bromo-4-cyano-2-hydroxy-1-aminobenzene supplier

Name
3-Bromo-4-cyano-2-hydroxy-1-aminobenzene
EINECS
CAS No. 676124-40-6
Article Data1
CAS DataBase
Density 1.87 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂O
Boiling Point 334.2 °C at 760 mmHg
Molecular Weight 213.03
Flash Point 155.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2-bromo-3-hydroxy-benzonitrile;4-Amino-2-bromo-3-hydroxybenzonitrile;Benzonitrile, 4-amino-2-bromo-3-hydroxy-;
PSA 70.04000
LogP 2.18978

3-Bromo-4-cyano-2-hydroxy-1-aminobenzene Specification

The 3-Bromo-4-cyano-2-hydroxy-1-aminobenzene, with the CAS registry number 676124-40-6, is also known as Benzonitrile, 4-amino-2-bromo-3-hydroxy-. This chemical's molecular formula is C₇H₅BrN₂O and formula weight is 213.03. What's more, its IUPAC name is 4-amino-2-bromo-3-hydroxybenzonitrile.

Physical properties of 3-Bromo-4-cyano-2-hydroxy-1-aminobenzene are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 1.91; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 70.04 Å²; (9)Index of Refraction: 1.704; (10)Molar Refractivity: 44.18 cm³; (11)Molar Volume: 113.8 cm³; (12)Surface Tension: 86.6 dyne/cm; (13)Density: 1.87 g/cm³; (14)Flash Point: 155.9 °C; (15)Enthalpy of Vaporization: 60.01 kJ/mol; (16)Boiling Point: 334.2 °C at 760 mmHg; (17)Vapour Pressure: 6.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1C#N)Br)O)N
(2)InChI: InChI=1S/C7H5BrN2O/c8-6-4(3-9)1-2-5(10)7(6)11/h1-2,11H,10H2
(3)InChIKey: VGUIJZQPLIBOHZ-UHFFFAOYSA-N

Product Name

3-Bromo-4-cyano-2-hydroxy-1-aminobenzene

3-Bromo-4-cyano-2-hydroxy-1-aminobenzene Specification

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