(2-Bromoethoxy)benzene

C₈H₉BrOCAS 589-10-6201.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
Melting point: 39 °C
Boiling point: 130–145 °C (at 25 Torr)
logP: 2.46Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed81.2% of notifiers
H315 Causes skin irritation93.8% of notifiers
H319 Causes serious eye irritation93.8% of notifiers
H335 May cause respiratory irritation91.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

589-10-6

SMILES

BrCCOc1ccccc1

InChIKey

JJFOBACUIRKUPN-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Names and synonyms

12 names

Benzene, (2-bromoethoxy)-
Phenetole, β-bromo-
2-Phenoxyethyl bromide
β-Phenoxyethyl bromide
β-Bromophenetole
1-Bromo-2-phenoxyethane
2-Bromoethyl phenyl ether
1-Phenoxy-2-bromoethane
NSC 8055
2-Phenoxy-1-bromoethane
2-(2-Bromoethoxy)benzene
1-(2-Bromoethoxy)benzene

Work with (2-Bromoethoxy)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

(3-Bromopropoxy)benzene588-63-675 % similar (4-Bromobutoxy)benzene1200-03-972 % similar 1,2-Diphenoxyethane104-66-567 % similar 1-(2-Bromoethoxy)-4-chlorobenzene2033-76-359 % similar Phenoxyethanol122-99-654 % similar Phenoxyethylamine1758-46-954 % similar (2-Chloroethoxy)benzene622-86-654 % similar 1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-854 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook