2-Bromo-4-methylanisole

C₈H₉BrOCAS 22002-45-5201.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
Melting point: 199 °C
Boiling point: 222 °C
logP: 2.77Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.5% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

22002-45-5

SMILES

COc1ccc(C)cc1Br

InChIKey

DHPUIKWBNXTXOB-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 2-bromo-1-methoxy-4-methyl-
Anisole, 2-bromo-4-methyl-
2-Bromo-1-methoxy-4-methylbenzene
3-Bromo-4-methoxytoluene
m-Bromo-p-methoxytoluene
1-Bromo-2-methoxy-5-methylbenzene

Work with 2-Bromo-4-methylanisole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxytoluene494-99-563 % similar 2,4-Dibromoanisole21702-84-162 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-562 % similar 2,4-Dimethylanisole6738-23-459 % similar 3-Bromo-4-methoxyaniline19056-41-858 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-458 % similar 2-Bromo-4-chloroanisole60633-25-258 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-258 % 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

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