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CAS 136-52-7 Cobalt bis(2-ethylhexanoate) molecular structure lightbox
CAS RN: 136-52-7

Cobalt bis(2-ethylhexanoate)

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 100ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260424 2.5L In stock Shandong Inquiry
Batchno.20250121 25ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260613 500ml In stock Shanghai, Shandong Inquiry
Batchno.20260405 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS136-52-7
  • Purity/Analytical Methods: >99.0%
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136-52-7 / cobalt(2+);bis(2-ethylhexanoate)

Standard CAS: 136-52-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
136-52-7
Multi CAS
No
Molecular Formula
C16H30CoO4
Molecular Weight
345.340000
Exact Mass
345.147603
SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Co+2]
InChI
InChI=1S/2C8H16O2.Co/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
QAEKNCDIHIGLFI-UHFFFAOYSA-L

Physical Properties

Melting Point
Melts in the range between 53-58 °C if heated in an aluminum crucible under nitrogen; melts under decomposition in the range between 64-84 °C if heated in an glass capillary under air
Boiling Point
Decomposes at approximately 90 deg before boiling if heated in an aluminum crucible under nitrogen
Density
1.25 at 21.6 °C /OECD Guideline 109 (Density of Liquids and Solids)/
Physical Description
Liquid Blue liquid; [HSDB] Clear purple-blue liquid; Insoluble in water; Available as 65% solution by weight in mineral spirits
Appearance
Blue liquid Blue-violet mass Purple to dark blue waxy solid at 20 °C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
76.63
TPSA
80.26

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H226 (15.2%): Flammable liquid and vapor [Warning Flammable liquids] H302 (51.4%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (32.4%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (99.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (56.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 P203, P280, P318, P405, and P501 P203, P233, P260, P261, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P321, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P405, and P501 P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, P405, and P501

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