CAS No.138555-58-5,2-BROMOCINNAMALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138555-58-5
Name:	2-BROMOCINNAMALDEHYDE
Article Data:	25

Formula:	C₉H₇BrO
Molecular Weight:	211.058
Synonyms:	2-Propenal,3-(2-bromophenyl)-, (E)-;(2E)-2-Bromo-3-phenylpropenal;(E)-2-Bromocinnamaldehyde;
EINECS:	226-637-6
Density:	1.467 g/cm³
Boiling Point:	305.751 °C at 760 mmHg
Flash Point:	111.167 °C
PSA:	17.07000
LogP:	2.66120

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Specification

The 2-Propenal,3-(2-bromophenyl)-, (2E)- is an organic compound with the formula C₉H₇BrO. The systematic name of this chemical is (2E)-3-(2-bromophenyl)prop-2-enal. With the CAS registry number 138555-58-5, it is also named as 3-(2-bromophenyl)acrylaldehyde.

Physical properties about 2-Propenal,3-(2-bromophenyl)-, (2E)- are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 93; (5)ACD/BCF (pH 7.4): 93; (6)ACD/KOC (pH 5.5): 895; (7)ACD/KOC (pH 7.4): 895; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 50.019 cm³; (13)Molar Volume: 143.912 cm³; (14)Polarizability: 19.829×10^-24cm³; (15)Surface Tension: 43.508 dyne/cm; (16)Density: 1.467 g/cm³; (17)Flash Point: 111.167 °C; (18)Enthalpy of Vaporization: 54.622 kJ/mol; (19)Boiling Point: 305.751 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1/C=C/C=O
(2)InChI: InChI=1/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(3)InChIKey: NIDKLBQFMCVZKV-HWKANZROBY
(4)Std. InChI: InChI=1S/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+
(5)Std. InChIKey: NIDKLBQFMCVZKV-HWKANZROSA-N