5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran

C₁₀H₁₁BrOCAS 127264-14-6227.10 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₀H₁₁BrO
Molar mass: 227.10 g/mol
Exact mass: 225.9993 Da
logP: 2.56Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

127264-14-6

SMILES

BrCCc1ccc2c(c1)CCO2

InChIKey

JRKZQRRYNCMSCB-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2

Weigh it out

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

Names and synonyms

4 names

5-(2-Bromoethyl)-2,3-dihydrobenzofuran
Benzofuran, 5-(2-bromoethyl)-2,3-dihydro-
5-(2-Bromoethyl)-2,3-dihydrobenzo[2,3-b]furan
2,3-Dihydro-5-(2-bromoethyl)benzofuran

Work with 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran

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

(2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-763 % similar 2,3-Dihydro-1-benzofuran-5-ylmethanamine55745-74-963 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-653 % similar 2,3-Dihydro-5-benzofuranacetic acid69999-16-253 % similar 5-Fluoro-2,3-dihydrobenzofuran245762-35-052 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-752 % similar 2,3-Dihydrobenzofuran-5-ylboronic acid227305-69-351 % similar 2,3-Dihydrobenzofuran-5-carboxaldehyde55745-70-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoisobutyrophenone10409-54-8 2-Bromo-4-methylpropiophenone1451-82-7 2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-8 1-(4-Bromophenyl)-1-butanone4981-64-0

Elsewhere

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