4-Bromo-2-ethyl-1-iodobenzene

C₈H₈BrICAS 175278-30-5310.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈BrI
Molar mass: 310.96 g/mol
Exact mass: 309.8854 Da
logP: 3.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 7 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

175278-30-5

SMILES

CCc1cc(Br)ccc1I

InChIKey

JWKQXPHYKRQLEJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

Benzene, 4-bromo-2-ethyl-1-iodo-

Work with 4-Bromo-2-ethyl-1-iodobenzene

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

4-Bromo-2-ethylaniline45762-41-256 % similar 5-Bromo-2-iodotoluene116632-39-453 % similar 1-Ethyl-2-iodobenzene18282-40-150 % similar 4-Bromo-1-iodo-2-methoxybenzene791642-68-747 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-547 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-947 % similar 4-Bromo-2,6-diethylaniline56746-19-147 % similar 5-Bromo-2-iodoaniline64085-52-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook