2,2,3-Trichloro-1,1,1,3,4,4,4-heptafluorobutane

C4Cl3F7CAS 335-44-4287.38 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4Cl3F7
Molar mass
287.38 g/mol
Exact mass
285.8954 Da
Density
1.7484 g/mL (at 20 °C)
Melting point
4 °C
Boiling point
98 °C
logP
4.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
335-44-4
SMILES
FC(F)(F)C(F)(Cl)C(Cl)(Cl)C(F)(F)F
InChIKey
ZPGMWBFCBUKITA-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl3F7/c5-1(6,3(9,10)11)2(7,8)4(12,13)14

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

Names and synonyms

5 names
  • Butane, 2,2,3-trichloro-1,1,1,3,4,4,4-heptafluoro-
  • Butane, 2,2,3-trichloroheptafluoro-
  • 2,2,3-Trichloroheptafluorobutane
  • NSC 163328
  • Heptafluoro-2,3,3-trichlorobutane

Work with 2,2,3-Trichloro-1,1,1,3,4,4,4-heptafluorobutane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dichloro-1,1,1,2,3,4,4,4-octafluorobutane355-20-465 % similar 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane375-34-859 % similar 1,2-Dichlorohexafluorocyclobutane356-18-340 % similar 1,1,2,2-Tetrachloro-3,3,4,4-tetrafluorocyclobutane336-50-535 % similar 1,1,1-Trichloro-2,2,2-trifluoroethane354-58-535 % similar Chloropentafluoroethane76-15-333 % similar 1,1,2-Trichloro-2,3,3-trifluorocyclobutane697-17-631 % similar 1-Chloro-1,1-dibromo-2,2,2-trifluoroethane754-17-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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