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Potassium hexylxanthate

CAT: 0286-P23140-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-P23140-01Size:25 g
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CAS Number
2720-76-5
UN Code
UN3342
Pictogram
02 - Flammable; 07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00022149
Hazard Statement
H250 Catches fire spontaneously if exposed to air; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H411 Toxic to aquatic life with long-lasting effects.
DOT Name
Xanthates
DOT Classification
Class 4.2
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P220 Keep/Store away from clothing/…/combustible materials; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P334 IF ON SKIN: Immerse in cool water/wrap in wet bandages; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Potassium O-hexyl dithiocarbonate
CAS Number2720-76-5
PubChem CID23691006
IUPAC Namepotassium hexoxymethanedithioate
Molecular FormulaC7H13KOS2
Molecular Weight216.4
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity98
SMILES
CCCCCCOC(=S)[S-].[K+]
InChI
InChI=1S/C7H14OS2.K/c1-2-3-4-5-6-8-7(9)10;/h2-6H2,1H3,(H,9,10);/q;+1/p-1
InChIKey
ZTHBGWDIOJXYNC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium O-hexyl dithiocarbonate
CAS: 2720-76-5
CID: 23691006
Formula: C7H13KOS2
MW: 216.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass216.00448887
Monoisotopic Mass216.00448887
Topological Polar Surface Area42.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity98.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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