Perfluorononanoyl chloride

C₉ClF₁₇OCAS 52447-23-1482.52 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₉ClF₁₇O
Molar mass: 482.52 g/mol
Exact mass: 481.9366 Da
logP: 5.76Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed92.7% of notifiers
H315 Causes skin irritation92.7% of notifiers
H319 Causes serious eye irritation92.7% of notifiers
H335 May cause respiratory irritation92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52447-23-1

SMILES

C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl

InChIKey

MPWXHQITWLFMQM-UHFFFAOYSA-N

InChI

InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27

Weigh it out

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

Names and synonyms

1 names

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoyl chloride

Work with Perfluorononanoyl chloride

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

Perfluorooctanoyl chloride335-64-8100 % similar Heptafluorobutyryl chloride375-16-683 % similar 2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-371 % similar 5-Chlorooctafluoropentanoyl chloride3110-03-062 % similar 11H-Perfluoroundecanoyl chloride2248-93-359 % similar 7H-Dodecafluoroheptanoyl chloride41405-35-059 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride423-95-059 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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