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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 | Hazard Symbols | N/A | |
Synonyms |
Propionaldehyde,2,2,3-tribromo- (8CI);2,2,3-Tribromopropanal;2,2,3-Tribromopropionaldehyde; |
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