Benzonitrile, 3-bromo-4-hydroxy-5-iodo- supplier

Name
3-bromo-4-hydroxy-5-iodobenzonitrile
EINECS 222-070-3
CAS No. 3336-26-3
Article Data2
CAS DataBase
Density 2.49 g/cm³
Solubility
Melting Point
Formula C₇H₃BrINO
Boiling Point 270.1 °C at 760mmHg
Molecular Weight 323.915
Flash Point 117.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-iodo-4-hydroxybenzonitrile;
PSA 44.02000
LogP 2.63098

Benzonitrile, 3-bromo-4-hydroxy-5-iodo- Specification

The Benzonitrile, 3-bromo-4-hydroxy-5-iodo- is an organic compound with the chemical formula C₇H₃BrINO. Its CAS registry number is 3336-26-3 and its EINECS registry number is 222-070-3. The IUPAC name of this chemical is 3-Bromo-4-hydroxy-5-iodobenzonitrile. What's more, its molecular weight is 323.91329.

Physical properties about Benzonitrile, 3-bromo-4-hydroxy-5-iodo- are: (1)ACD/LogP: 3.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 54.18; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 377.59; (8)ACD/KOC (pH 7.4): 7.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 21.2×10^-24 cm³; (17)Surface Tension: 83.5 dyne/cm; (18)Density: 2.49 g/cm³; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 52.87 kJ/mol; (21)Boiling Point: 270.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00421 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C#N)cc(Br)c1O
(2) InChI: InChI=1/C7H3BrINO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
(3) InChIKey: WLQYCVYQRFCPSX-UHFFFAOYAD

Product Name

3-bromo-4-hydroxy-5-iodobenzonitrile

Benzonitrile, 3-bromo-4-hydroxy-5-iodo- Specification

Related Products

Hot Products