2-Iodo-5-(trifluoromethyl)aniline

C₇H₅F₃INCAS 105202-02-6287.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅F₃IN
Molar mass: 287.02 g/mol
Exact mass: 286.9419 Da
logP: 2.89Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

105202-02-6

SMILES

C1=CC(=C(C=C1C(F)(F)F)N)I

InChIKey

KJTQOUZTJKNWGK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,12H2

Weigh it out

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

Names and synonyms

1 names

3-Amino-4-iodobenzotrifluoride

Work with 2-Iodo-5-(trifluoromethyl)aniline

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-Diaminobenzotrifluoride368-71-864 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-161 % similar 2,5-Bis(trifluoromethyl)aniline328-93-860 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-458 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % similar 3-Chloro-4-iodobenzotrifluoride141738-80-956 % similar 2-Bromo-5-trifluoromethylaniline454-79-556 % similar 4-Amino-3-methylbenzotrifluoride67169-22-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-4-(trifluoromethyl)aniline163444-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook