4-Bromo-2-methylanisole

C8H9BrOCAS 14804-31-0201.06 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Melting point
67.5–68.5 °C
Boiling point
126–128 °C (at 10 Torr)
logP
2.77Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
14804-31-0
SMILES
COc1ccc(Br)cc1C
InChIKey
UDLRGQOHGYWLCS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 4-bromo-1-methoxy-2-methyl-
  • Anisole, 4-bromo-2-methyl-
  • 4-Bromo-1-methoxy-2-methylbenzene
  • 2-Methoxy-5-bromotoluene
  • 5-Bromo-2-methoxytoluene
  • 1-Bromo-4-methoxy-3-methylbenzene
  • 1-Methoxy-2-methyl-4-bromobenzene
  • 1-Bromo-3-methyl-4-methoxybenzene

Work with 4-Bromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromoveratrole2859-78-167 % similar 2,4-Dibromoanisole21702-84-162 % similar 5-Bromo-2-methoxyaniline6358-77-660 % similar 2,5-Dimethoxytoluene24599-58-459 % similar 2,4-Dimethylanisole6738-23-459 % similar 4-Bromo-2-fluoroanisole2357-52-058 % similar 5-Bromo-2-methoxyphenol37942-01-158 % similar 4-Bromo-1-iodo-2-methoxybenzene791642-68-758 % 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-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2 2-Bromo-4-methylanisole22002-45-5

Elsewhere

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