3-(2-Bromophenyl)propionaldehyde supplier

Name
3-(2-BROMO-PHENYL)-PROPIONALDEHYDE
EINECS
CAS No. 107408-16-2
Article Data34
CAS DataBase
Density 1.399 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO
Boiling Point 262.983 °C at 760 mmHg
Molecular Weight 213.074
Flash Point 73.92 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromobenzenepropanal;3-(2-Bromophenyl)propanal;3-(2-Bromophenyl)propionaldehyde;
PSA 17.07000
LogP 2.58060

3-(2-Bromophenyl)propionaldehyde Specification

The 3-(2-Bromophenyl)propionaldehyde, with the CAS registry number 107408-16-2, is also known as Benzenepropanal, 2-bromo-. This chemical's molecular formula is C₉H₉BrO and molecular weight is 213.07. Its systematic name is called 3-(2-bromophenyl)propanal.

Physical properties of 3-(2-Bromophenyl)propionaldehyde: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 80; (6)ACD/BCF (pH 7.4): 80; (7)ACD/KOC (pH 5.5): 802; (8)ACD/KOC (pH 7.4): 802; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 48.312 cm³; (13)Molar Volume: 152.261 cm³; (14)Surface Tension: 40.048 dyne/cm; (15)Density: 1.399 g/cm³; (16)Flash Point: 73.92 °C; (17)Enthalpy of Vaporization: 50.079 kJ/mol; (18)Boiling Point: 262.983 °C at 760 mmHg; (19)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CCC=O
(2)InChI: InChI=1/C9H9BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6-7H,3,5H2
(3)InChIKey: LZYQKMVDCBFOOX-UHFFFAOYAU

Product Name

3-(2-BROMO-PHENYL)-PROPIONALDEHYDE

3-(2-Bromophenyl)propionaldehyde Specification

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