1-Chloro-2-iodotetrafluoroethane
Properties
- Molecular formula
- C2ClF4I
- Molar mass
- 262.37 g/mol
- Exact mass
- 261.8669 Da
- logP
- 2.85Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H301 Toxic if swallowed28.6% of notifiers
- H302 Harmful if swallowed57.1% of notifiers
- H311 Toxic in contact with skin28.6% of notifiers
- H312 Harmful in contact with skin57.1% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H318 Causes serious eye damage14.3% of notifiers
- H330 Fatal if inhaled14.3% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled57.1% of notifiers
- H335 May cause respiratory irritation14.3% of notifiers
- H351 Suspected of causing cancer57.1% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
421-78-3SMILES
C(C(F)(F)I)(F)(F)ClInChIKey
XNIBSTIKPHNKSO-UHFFFAOYSA-NInChI
InChI=1S/C2ClF4I/c3-1(4,5)2(6,7)8Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ .¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 120.0 (tt, J(C,F) = 240.0, 29.0 Hz), 120.0 (tt, J(C,F) = 240.0, 29.0 Hz).[M + H]+
[M + H]+ Calcd for C2HClF4I 262.8742[M + Na]+
[M + Na]+ Calcd for C2ClF4INa 284.8562Elemental analysis
Anal. Calcd for C2ClF4I: C, 9.16.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 1-Chloro-2-iodotetrafluoroethane
Similar compounds
1,2-Diiodotetrafluoroethane354-65-450 % similar
1,2-Dichlorotetrafluoroethane76-14-250 % similar
1,2-Dichloro-1,1,2-trifluoro-2-iodoethane354-61-048 % similar
Pentafluoroethyl iodide354-64-342 % similar
1,4-Diiodoperfluorobutane375-50-842 % similar
1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane662-01-142 % similar
Chloropentafluoroethane76-15-342 % similar
1,10-Dichloroperfluorodecane156186-28-640 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.