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3400-55-3

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CAS No.: 3400-55-3
Name: 2-BROMOPRIOPIONALDEHYDE DIETHYL ACETAL
Molecular Structure:
Molecular Structure of 3400-55-3 (2-BROMOPRIOPIONALDEHYDE DIETHYL ACETAL)
Formula: C7H15BrO2
Molecular Weight: 211.099
Synonyms: Propionaldehyde,2-bromo-, diethyl acetal (7CI,8CI);1,1-Diethoxy-2-bromopropane;2-Bromopropionaldehyde diethyl acetal;b-Bromopropionaldehyde diethylacetal;
EINECS: 222-270-0
Density: 1.236 g/cm3
Boiling Point: 209.453 °C at 760 mmHg
Flash Point: 70.361 °C
Hazard Symbols: Xn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 18.46000
LogP: 2.16890
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Chemistry

Molecule structure of Propane,2-bromo-1,1-diethoxy- (3400-55-3):

IUPAC Name: 2-Bromo-1,1-diethoxypropane
Molecular Weight: 211.0968 [g/mol]
Molecular Formula: C7H15BrO2
XLogP3-AA: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 210.025542
MonoIsotopic Mass: 210.025542
Topological Polar Surface Area: 18.5
Heavy Atom Count: 10 
Index of Refraction: 1.446
Molar Refractivity: 45.61 cm3
Molar Volume: 170.7 cm3
Surface Tension: 29.1 dyne/cm
Density: 1.236 g/cm3
Flash Point: 70.4 °C
Enthalpy of Vaporization: 42.75 kJ/mol
Boiling Point: 209.5 °C at 760 mmHg
Vapour Pressure: 0.293 mmHg at 25 °C 
Canonical SMILES: CCOC(C(C)Br)OCC
InChI: InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3
InChIKey: AHIUAFXWZKCJLR-UHFFFAOYSA-N
EINECS of Propane,2-bromo-1,1-diethoxy- (3400-55-3): 222-270-0

Specification

 Propane,2-bromo-1,1-diethoxy- (3400-55-3) is also named as 2-Bromo-1,1-diethoxypropane ; 2-Bromopriopionaldehyde diethyl acetal ; 2-Bromopriopionaldehyde diethyl acetyl .