2-Bromo-1-iodo-4-methoxybenzene

C₇H₆BrIOCAS 466639-53-2312.93 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrIO
Molar mass: 312.93 g/mol
Exact mass: 311.8647 Da
logP: 3.06Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

466639-53-2

SMILES

COC1=CC(=C(C=C1)I)Br

InChIKey

DIQUDEJWQWDXHP-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Work with 2-Bromo-1-iodo-4-methoxybenzene

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-Iodo-2,4-dimethoxybenzene20469-63-060 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 4-Bromo-3-methylanisole27060-75-958 % similar 3-Bromo-4-fluoroanisole1161497-23-956 % similar 2-Bromo-4-methoxyphenol17332-11-556 % similar 3-Bromo-4-chloroanisole2732-80-156 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-455 % similar 2-Iodo-4-methoxyphenylamine191348-14-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-iodo-2-methoxybenzene791642-68-7 2-Bromo-5-iodobenzyl alcohol946525-30-0

Elsewhere

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