3-Bromopropionaldehyde dimethyl acetal - CAS 36255-44-4

Name: 3-Bromopropionaldehyde dimethyl acetal
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022919
Product Name:	3-Bromopropionaldehyde dimethyl acetal
CAS:	36255-44-4
Synonyms:	3-bromo-1,1-dimethoxypropane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-1,1-dimethoxypropane
Description:	3-Bromopropanal Dimethyl Acetal, can be used in the synthesis of spiro cyclobutanones.
Molecular Weight:	183.04
Molecular Formula:	C5H11BrO2
Canonical SMILES:	COC(CCBr)OC
InChI:	InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3
InChI Key:	ODZZAIFAQLODKN-UHFFFAOYSA-N
Boiling Point:	58 °C (17 torr)
Purity:	95 %
Density:	1.341 g/cm³
Appearance:	Clear pale yellow liquid
Storage:	Refrigerator
MDL:	MFCD00013245
LogP:	1.39030

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Related Functional Groups

Oxygen Compounds

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

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Complexity:	45.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.99424
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.99424
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2