3-Bromocinnamaldehyde supplier

Name
3-Bromocinnamaldehyde
EINECS
CAS No. 97985-66-5
Article Data12
CAS DataBase
Density 1.466 g/cm³
Solubility
Melting Point
Formula C₉H₇BrO
Boiling Point 309.7 °C at 760 mmHg
Molecular Weight 211.058
Flash Point 114 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenal,3-(3-bromophenyl)-, (E)-;(E)-3-Bromocinnamaldehyde;trans-3-Bromocinnamaldehyde;
PSA 17.07000
LogP 2.66120

3-Bromocinnamaldehyde Specification

The cas register number of 3-Bromocinnamaldehyde is 97985-66-5. It also can be called as (E)-3-(3-Bromophenyl)-2-propenal and the Systematic name about this chemical is (2E)-3-(3-bromophenyl)prop-2-enal.

Physical properties about 3-Bromocinnamaldehyde are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 2.96; (4)ACD/BCF (pH 5.5): 103.88; (5)ACD/BCF (pH 7.4): 103.88; (6)ACD/KOC (pH 5.5): 966.17; (7)ACD/KOC (pH 7.4): 966.17; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å²; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 50.01 cm³; (13)Molar Volume: 143.9 cm³; (14)Polarizability: 19.82x10^-24cm³; (15)Surface Tension: 43.5 dyne/cm; (16)Enthalpy of Vaporization: 55.05 kJ/mol; (17)Vapour Pressure: 0.000628 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(/C=C/C=O)ccc1
(2)InChI: InChI=1/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
(3)InChIKey: QICJGJJHIQBWJR-DUXPYHPUBI
(4)Std. InChI: InChI=1S/C9H7BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
(5)Std. InChIKey: QICJGJJHIQBWJR-DUXPYHPUSA-N

Product Name

3-Bromocinnamaldehyde

3-Bromocinnamaldehyde Specification

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