4-Chloro-1-iodo-2-(trifluoromethyl)benzene

C7H3ClF3ICAS 23399-77-1306.45 g/mol

Open in Covalent MOL file
FFFClI
Alkyl halideAryl halide

Properties

Molecular formula
C7H3ClF3I
Molar mass
306.45 g/mol
Exact mass
305.8920 Da
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
23399-77-1
SMILES
FC(F)(F)c1cc(Cl)ccc1I
InChIKey
DRMQJFVDZWIKTE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-chloro-1-iodo-2-(trifluoromethyl)-
  • Toluene, 5-chloro-α,α,α-trifluoro-2-iodo-
  • 4-Chloro-2-(trifluoromethyl)iodobenzene
  • 4-Chloro-1-iodo-2-trifluoromethylbenzene
  • 2-Iodo-5-chlorobenzotrifluoride
  • 5-Chloro-2-iodobenzotrifluoride

Work with 4-Chloro-1-iodo-2-(trifluoromethyl)benzene

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

1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-258 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-556 % similar 2-Trifluoromethyl-4-chloroaniline445-03-456 % similar 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-456 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 4-Chloro-2-fluorobenzotrifluoride94444-59-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-iodobenzotrifluoride141738-80-9 2-Chloro-5-iodobenzotrifluoride260355-20-2 4-Chloro-3-iodobenzotrifluoride672-57-1

Elsewhere

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