4-Bromo-3-formylbenzonitrile supplier

Name
4-BROMO-3-FORMYL-BENZONITRILE
EINECS
CAS No. 89003-95-2
Article Data6
CAS DataBase
Density 1.659 g/cm³
Solubility
Melting Point 149-151 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Formula C₈H₄BrNO
Boiling Point 253.927 °C at 760 mmHg
Molecular Weight 210.03
Flash Point 107.372 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-formyl-benzonitrile;
PSA 40.86000
LogP 2.13328

4-Bromo-3-formylbenzonitrile Specification

The 4-Bromo-3-formylbenzonitrile, with the CAS registry number 89003-95-2, is also known as 4-Bromo-3-formyl-benzonitrile. This chemical's molecular formula is C₈H₄BrNO and molecular weight is 210.03.

Physical properties of 4-Bromo-3-formylbenzonitrile are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 283; (8)ACD/KOC (pH 7.4): 283; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 44.01 cm³; (15)Molar Volume: 126.604 cm³; (16)Polarizability: 17.447×10^-24 cm³; (17)Surface Tension: 59.255 dyne/cm; (18)Density: 1.659 g/cm³; (19)Flash Point: 107.372 °C; (20)Enthalpy of Vaporization: 49.134 kJ/mol; (21)Boiling Point: 253.927 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(ccc1Br)C#N
(2)InChI: InChI=1/C8H4BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
(3)InChIKey: BFXZVSRDZFPABM-UHFFFAOYAA

Product Name

4-BROMO-3-FORMYL-BENZONITRILE

4-Bromo-3-formylbenzonitrile Specification

Related Products

Hot Products