2-Fluoro-5-iodobenzaldehyde

C₇H₄FIOCAS 146137-76-0250.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄FIO
Molar mass: 250.01 g/mol
Exact mass: 249.9291 Da
logP: 2.24Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed87.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146137-76-0

SMILES

O=Cc1cc(I)ccc1F

InChIKey

BIRCCQCPGMMGPJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2-fluoro-5-iodo-

Work with 2-Fluoro-5-iodobenzaldehyde

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

2,5-Difluorobenzaldehyde2646-90-460 % similar 5-Iodosalicylaldehyde1761-62-256 % similar 2-Fluoro-5-methylbenzaldehyde93249-44-656 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-556 % similar 5-Chloro-2-fluorobenzaldehyde96515-79-656 % similar 1,2-Difluoro-4-iodobenzene64248-58-454 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-253 % similar 2,4,5-Trifluorobenzaldehyde165047-24-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-iodobenzaldehyde1003709-57-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook