4-Bromo-3-nitrobenzonitrile supplier

Name
4-Bromo-3-nitrobenzonitrile
EINECS
CAS No. 89642-49-9
Article Data6
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point 116-120 °C
Formula C₇H₃BrN₂O₂
Boiling Point 268.6 °C at 760 mmHg
Molecular Weight 227.017
Flash Point 116.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-nitrobenzonitrile;
PSA 69.61000
LogP 2.75218

4-Bromo-3-nitrobenzonitrile Specification

The 4-Bromo-3-nitrobenzonitrile, with the CAS registry number 89642-49-9, is also known as ZINC01504260. It belongs to the product categories of Blocks; Bromides; Carboxes; Nitro Compounds; Aromatic Nitriles; C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. This chemical's molecular formula is C₇H₃BrN₂O₂ and molecular weight is 227.01492. Its IUPAC name is called 4-bromo-3-nitrobenzonitrile.

Physical properties of 4-Bromo-3-nitrobenzonitrile: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.19; (5)ACD/BCF (pH 7.4): 12.19; (6)ACD/KOC (pH 5.5): 208.47; (7)ACD/KOC (pH 7.4): 208.47; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.638; (11)Molar Refractivity: 45.07 cm³; (12)Molar Volume: 125.3 cm³; (13)Surface Tension: 69 dyne/cm; (14)Density: 1.81 g/cm³; (15)Flash Point: 116.3 °C; (16)Enthalpy of Vaporization: 50.67 kJ/mol; (17)Boiling Point: 268.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0076 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C#N)[N+](=O)[O-])Br
(2)InChI: InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
(3)InChIKey: FXRMUJPWDOLCLX-UHFFFAOYSA-N

Product Name

4-Bromo-3-nitrobenzonitrile

4-Bromo-3-nitrobenzonitrile Specification

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