(3-Bromopropoxy)benzene

C₉H₁₁BrOCAS 588-63-6215.09 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₉H₁₁BrO
Molar mass: 215.09 g/mol
Exact mass: 213.9993 Da
Melting point: 10.7 °C
Boiling point: 136–142 °C (at 20 Torr)
logP: 2.85Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation95% of notifiers
H319 Causes serious eye irritation95% of notifiers

Aggregated from 20 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

588-63-6

SMILES

BrCCCOc1ccccc1

InChIKey

NIDWUZTTXGJFNN-UHFFFAOYSA-N

InChI

InChI=1S/C9H11BrO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

Weigh it out

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

Names and synonyms

9 names

Benzene, (3-bromopropoxy)-
Ether, 3-bromopropyl phenyl
γ-Phenoxypropyl bromide
3-Phenoxypropyl bromide
3-Bromopropyl phenyl ether
1-Bromo-3-phenoxypropane
3-Bromo-1-phenoxypropane
3-Phenoxy-1-bromopropane
NSC 2641

Reactions

γ-PHENOXYPROPYL BROMIDE (Propane, 1-bromo-2-phenoxy-)product

Work with (3-Bromopropoxy)benzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Bromobutoxy)benzene1200-03-988 % similar 1,2-Diphenoxyethane104-66-561 % similar Butyl phenyl ether1126-79-057 % similar 3-Phenoxy-1-propanol6180-61-657 % similar Benzyl 3-bromopropyl ether54314-84-053 % similar Phenoxyethanol122-99-650 % similar Phenoxyethylamine1758-46-950 % similar (2-Chloroethoxy)benzene622-86-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-3-isopropoxybenzene131738-73-3 Benzyl 2-bromoethyl ether1462-37-9 4-Bromo-2,6-dimethylanisole14804-38-7 1-Bromo-2-(1-methylethoxy)benzene701-07-5

Elsewhere

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