1,3-Dibromo-5-fluoro-2-iodobenzene

C₆H₂Br₂FICAS 62720-29-0379.79 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂Br₂FI
Molar mass: 379.79 g/mol
Exact mass: 377.7552 Da
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed37.5% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation62.5% of notifiers

Aggregated from 8 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

62720-29-0

SMILES

Fc1cc(Br)c(I)c(Br)c1

InChIKey

LIWKANDEJFABTQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

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Names and synonyms

1 names

Benzene, 1,3-dibromo-5-fluoro-2-iodo-

Work with 1,3-Dibromo-5-fluoro-2-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

2-Bromo-4,6-difluoroiodobenzene175278-11-275 % similar 1,3-Dibromo-2,5-difluorobenzene128259-68-757 % similar 1,2,3-Tribromo-5-fluorobenzene576-82-957 % similar 3,5-Dibromo-4-iodotoluene175278-10-152 % similar 1,3-Dibromo-2-chloro-5-fluorobenzene179897-90-652 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2,6-Dibromo-4-fluorophenol344-20-752 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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