2-Bromopropionaldehyde diethyl acetal - CAS 3400-55-3

Name: 2-Bromopropionaldehyde diethyl acetal
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021929
Product Name:	2-Bromopropionaldehyde diethyl acetal
CAS:	3400-55-3
Synonyms:	2-bromo-1,1-diethoxypropane

Technical Data

IUPAC Name:	2-bromo-1,1-diethoxypropane
Description:	2-Bromopropionaldehyde diethyl acetal (CAS# 3400-55-3) is the 2-bromo derivative of Propionaldehyde diethyl acetal (P827700). 2-Bromopropionaldehyde Diethyl Acetal is also used as a reagent to synthesize piperazinylimidazo[1,2-a]pyrazines, compounds that have selective affinity for α-adrenergic receptor subtypes.
Molecular Weight:	211.10
Molecular Formula:	C7H15BrO2
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
InChI Key:	AHIUAFXWZKCJLR-UHFFFAOYSA-N
Boiling Point:	209.5 °C at 760 mmHg
Purity:	94 %
Density:	1.236 g/cm³
MDL:	MFCD00152299
LogP:	2.16890

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020247819-A2	Methods of treatment with aminolevulinic acid synthase 2 (alas2) modulators	20190607
CN-108864039-A	Replace luxuriant and rich with fragrance and its derivative light sensitivity double helix chirality fluorescent chemicals and its synthetic method based on 5,6- bis-	20180611
CN-108864039-B	Photosensitive double helix chiral fluorescent compound based on 5, 6-disubstituted phenanthrene and derivatives thereof and synthetic method thereof	20180611
US-2018244611-A1	Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use	20170224
WO-2018154519-A1	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170224

Complexity:	72
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.02554
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.02554
Rotatable Bond Count:	5
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2