4-Bromo-1-iodo-2-methoxybenzene

C₇H₆BrIOCAS 791642-68-7312.93 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

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

791642-68-7

SMILES

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

InChIKey

ZQPKPGBEEFOTEK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

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

Bromoveratrole2859-78-164 % similar 1-Iodo-2,4-dimethoxybenzene20469-63-060 % similar 4-Bromo-2-methylanisole14804-31-058 % similar 4-Bromo-2-methoxybenzenamine59557-91-458 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-256 % similar 5-Bromo-2-chloroanisole16817-43-956 % similar 4-Bromo-2-methoxyphenol7368-78-756 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-iodo-4-methoxybenzene466639-53-2 2-Bromo-5-iodobenzyl alcohol946525-30-0

Elsewhere

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