2-Bromo-1-(2,4-dimethoxyphenyl)ethanone

C₁₀H₁₁BrO₃CAS 60965-26-6259.10 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₀H₁₁BrO₃
Molar mass: 259.10 g/mol
Exact mass: 257.9892 Da
Melting point: 101–102 °C
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

60965-26-6

SMILES

COc1ccc(C(=O)CBr)c(OC)c1

InChIKey

PKVBZABQCCQHLD-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3

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

Names and synonyms

5 names

Ethanone, 2-bromo-1-(2,4-dimethoxyphenyl)-
2-Bromo-2′,4′-dimethoxyacetophenone
2,4-Dimethoxyphenacyl bromide
NSC 158566
2-Bromo-1-(2,4-dimethoxyphenyl)ethan-1-one

Work with 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone

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-Bromo-1-(2-methoxyphenyl)ethanone31949-21-065 % similar 4-Methoxyphenacyl bromide2632-13-559 % similar 2′,4′-Dimethoxyacetophenone829-20-958 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % similar Methyl 2,4-dimethoxybenzoate2150-41-656 % similar 2,4-Dimethoxybenzoic acid91-52-156 % similar 1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-554 % similar 6-Methoxy-4-chromanone5802-17-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-2',5'-dimethoxyacetophenone1204-21-3 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-5 Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-7

Elsewhere

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