3,5-Difluoro-4-iodoaniline

C₆H₄F₂INCAS 1542-34-3255.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄F₂IN
Molar mass: 255.01 g/mol
Exact mass: 254.9357 Da
logP: 2.15Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

1542-34-3

SMILES

C1=C(C=C(C(=C1F)I)F)N

InChIKey

CHXXMQJPYOKYSB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2IN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Weigh it out

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

Work with 3,5-Difluoro-4-iodoaniline

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

3,4,5-Trifluorobenzenamine163733-96-857 % similar 4-Amino-2,6-difluorophenol126058-97-752 % similar 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-352 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % similar 3-Fluoro-4-iodoaniline656-66-652 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-748 % similar 3,4-Difluoroaniline3863-11-448 % similar 3,5-Difluoro-4-methoxyaniline363-47-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Difluoro-4-iodoaniline141743-49-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook