CAS 36255-44-4 3-Bromopropionaldehyde dimethylacetal (HCID 118932)

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Basic information

CAS: 36255-44-4
Standard SMILES: COC(CCBr)OC
InChIKey: ODZZAIFAQLODKN-UHFFFAOYSA-N
Molecular formula: C5H11BrO2
Average molar mass: 183.04 g/mol
Monoisotopic mass: 181.99424169

Names & identifiers

Preferred name: 3-Bromopropionaldehyde dimethylacetal
IUPAC: 3-bromo-1,1-dimethoxypropane
English name: 3-BROMOPROPIONALDEHYDE DIMETHYL ACETAL
Molecular formula: C5H11BrO2
Molecular weight: 183.04

Names & synonyms

3-Bromo-1,1-dimethoxypropane36255-44-41-Bromo-3,3-dimethoxypropaneOD9JKH5WOJPropane, 3-bromo-1,1-dimethoxy-3-bromopropionaldehyde dimethylacetal1,1-Dimethoxy-3-bromopropane3,3-dimethoxypropyl bromideEINECS 252-936-63-BROMOPROPANAL DIMETHYL ACETALDTXSID50189793RefChem:499377

Show more names

1-Bromo-3,3-dimethylpropene4-broMo-2-(1-Methoxyethoxy)butanal1-Bromo-3,3-di Methoxy group propane3-Bromopropionaldehyde dimethylacetal,95%

DTXCID101122843Bromopropionaldehyde dimethyl acetal252-936-63-Bromopropionaldehyde dimethyl acetalMFCD000132453-bromo-1,1-dimethoxy-propaneUNII-OD9JKH5WOJSCHEMBL713320

Database identifiers

CAS: 36255-44-4
PubChem CID: 118932
DTXSID: DTXSID50189793
UNII: OD9JKH5WOJ
EC Number: 252-936-6
Nikkaji: J319.616J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 45.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Acetals

Physical DescriptionBrown liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point: 58 · 58-60 °C17 mm Hg(lit.)
Density: 1.341 g/mL · 1.341 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.449(lit.)
Flash point: 114 °F · 114 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: Not miscible or difficult to mix with water.
BRN: 1697640 · 1697640
InChI: InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3
InChIKey: ODZZAIFAQLODKN-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.