1,1-Difluoro-2-iodoethane

C₂H₃F₂ICAS 598-39-0191.95 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₂H₃F₂I
Molar mass: 191.95 g/mol
Exact mass: 191.9248 Da
Density: 2.18 g/mL (at 25 °C)
Boiling point: 86.8–87.1 °C (at 740 Torr)
logP: 1.69Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

598-39-0

SMILES

FC(F)CI

InChIKey

VMFCTZUYOILUMY-UHFFFAOYSA-N

InChI

InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2

Weigh it out

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

Names and synonyms

4 names

Ethane, 1,1-difluoro-2-iodo-
2,2-Difluoroethyl iodide
1-Iodo-2,2-difluoroethane
2-Iodo-1,1-difluoroethane

Work with 1,1-Difluoro-2-iodoethane

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

1,1,2-Trifluoroethane430-66-035 % similar 2-Bromo-1,1-difluoroethane359-07-933 % similar 2,2-Difluoroethan-1-ol359-13-733 % similar 2,2-Difluoroethylamine430-67-133 % similar Isobutyl iodide513-38-233 % similar Pentafluoropropane460-73-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook