2-Bromo-2',5'-dimethoxyacetophenone

C₁₀H₁₁BrO₃CAS 1204-21-3259.10 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: 84–85 °C
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H400 Very toxic to aquatic life97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1204-21-3

SMILES

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

InChIKey

RGQNFYVSEWDUEI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

2-Bromo-2′,5′-dimethoxyacetophenone
Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-
Acetophenone, 2-bromo-2′,5′-dimethoxy-
2-Bromo-1-(2,5-dimethoxyphenyl)ethanone
α-Bromo-2,5-dimethoxyacetophenone
2,5-Dimethoxyphenacyl bromide
ω-Bromo-2,5-dimethoxyacetophenone
2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one

Work with 2-Bromo-2',5'-dimethoxyacetophenone

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

1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-570 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-065 % similar 6-Methoxy-4-chromanone5802-17-564 % similar 4-Methoxyphenacyl bromide2632-13-559 % similar 2',5'-Dimethoxyacetophenone1201-38-358 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % similar 2,5-Dimethoxybenzoyl chloride17918-14-856 % similar 2,5-Dimethoxybenzoic acid2785-98-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-5 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-6 Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook