2,4,6-Tribromoanisole

C₇H₅Br₃OCAS 607-99-8344.83 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₅Br₃O
Molar mass: 344.83 g/mol
Exact mass: 341.7891 Da
Density: 2.49 g/mL
Melting point: 88 °C
Boiling point: 298 °C
logP: 3.98Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

607-99-8

SMILES

COc1c(Br)cc(Br)cc1Br

InChIKey

YXTRCOAFNXQTKL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

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

Names and synonyms

7 names

Benzene, 1,3,5-tribromo-2-methoxy-
Anisole, 2,4,6-tribromo-
1,3,5-Tribromo-2-methoxybenzene
Methyl 2,4,6-tribromophenyl ether
NSC 2218
1-Methoxy-2,4,6-tribromobenzene
TBA

Work with 2,4,6-Tribromoanisole

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

1-Bromo-3,4,5-trimethoxybenzene2675-79-860 % similar 3,5-Dibromo-2-methoxybenzoic acid13130-23-958 % similar 4-Bromo-2,6-difluoroanisole104197-14-056 % similar 3,5-Dibromo-4-methoxybenzonitrile3336-39-855 % similar 1,2-Bis(2,4,6-tribromophenoxy)ethane37853-59-154 % similar 2,4-Dibromoanisole21702-84-154 % similar 1,3-Dibromo-5-methoxybenzene74137-36-352 % similar 3,5-Dibromo-2-methoxypyridine13472-60-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,6-Tribromo-3-methylphenol4619-74-3

Elsewhere

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