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2,2,3-Tribromopropanal

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Name

2,2,3-Tribromopropanal

EINECS N/A
CAS No. 26944-17-2 Density 2.563 g/cm3
PSA 17.07000 LogP 2.06630
Solubility N/A Melting Point N/A
Formula C3H3Br3O Boiling Point 213.6 °C at 760 mmHg
Molecular Weight 294.768 Flash Point 84.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26944-17-2 (2,2,3-tribromopropanal) Hazard Symbols N/A
Synonyms

Propionaldehyde,2,2,3-tribromo- (8CI);2,2,3-Tribromopropanal;2,2,3-Tribromopropionaldehyde;

 

2,2,3-Tribromopropanal Specification

The Propanal,2,2,3-tribromo- is an organic compound with the formula C3H3Br3O. With the CAS registry number 26944-17-2, the IUPAC name of this chemical is 2,2,3-tribromopropanal.

Physical properties about Propanal,2,2,3-tribromo- are: (1)ACD/LogP: 3.46; (2)ACD/LogD (pH 5.5): 3.46; (3)ACD/LogD (pH 7.4): 3.46; (4)ACD/BCF (pH 5.5): 252.22; (5)ACD/BCF (pH 7.4): 252.22; (6)ACD/KOC (pH 5.5): 1823.06; (7)ACD/KOC (pH 7.4): 1823.06; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 39.29 cm3; (13)Molar Volume: 114.9 cm3; (14)Polarizability: 15.57×10-24cm3; (15)Surface Tension: 54.1 dyne/cm; (16)Density: 2.563 g/cm3; (17)Flash Point: 84.7 °C; (18)Enthalpy of Vaporization: 44.99 kJ/mol; (19)Boiling Point: 213.6 °C at 760 mmHg; (20)Vapour Pressure: 0.163 mmHg at 25°C.

Uses of Propanal,2,2,3-tribromo-: it can be used to produce 3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-7-(2,2,3-tribromo-propylideneamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester at temperature of -20 °C. It will need reagent SOCl2, PhNMe2 and solvent CH2Cl2 with reaction time of 1 hour. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(C=O)CBr
(2)InChI: InChI=1/C3H3Br3O/c4-1-3(5,6)2-7/h2H,1H2
(3)InChIKey: BEWGXCJZMNOBIQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H3Br3O/c4-1-3(5,6)2-7/h2H,1H2
(5)Std. InChIKey: BEWGXCJZMNOBIQ-UHFFFAOYSA-N

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