1-Bromo-3-methoxypropane

C₄H₉BrOCAS 36865-41-5153.02 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₄H₉BrO
Molar mass: 153.02 g/mol
Exact mass: 151.9837 Da
Density: 1.3592 g/mL (at 20 °C)
Boiling point: 132–133 °C
logP: 1.42Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor75% of notifiers
H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation37.5% of notifiers
H319 Causes serious eye irritation37.5% of notifiers
H331 Toxic if inhaled12.5% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

36865-41-5

SMILES

COCCCBr

InChIKey

CEVMYGZHEJSOHZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Propane, 1-bromo-3-methoxy-
Ether, 3-bromopropyl methyl
3-Methoxy-1-bromopropane
3-Methoxypropyl bromide
3-Bromopropyl methyl ether
3-Bromo-1-methoxypropane
1-Methoxy-3-bromopropane

Work with 1-Bromo-3-methoxypropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromoethyl methyl ether6482-24-267 % similar Amberlyst 159037-24-567 % similar 1-Bromo-2-(2-methoxyethoxy)ethane54149-17-655 % similar Dipropylene glycol dimethyl ether111109-77-450 % similar Butyl methyl ether628-28-448 % similar Dimethoxyethane110-71-447 % similar Polyethylene glycol dimethyl ether24991-55-747 % similar 3-Methoxy-1-propanol1589-49-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-butanol33036-62-3 3-Bromo-2-methylpropan-1-ol40145-08-2 2-Bromoethyl ethyl ether592-55-2

Elsewhere

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