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CAS 1277-43-6 BIS(CYCLOPENTADIENYL)COBALT molecular structure lightbox
CAS RN: 1277-43-6

BIS(CYCLOPENTADIENYL)COBALT

  • Product code: SSC-035175
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1277-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1277-43-6 / cobalt(2+);bis(cyclopenta-1,3-diene)

Standard CAS: 1277-43-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1277-43-6
Multi CAS
No
Molecular Formula
C10H10Co
Molecular Weight
189.120000
Exact Mass
189.011444
SMILES
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Co+2]
InChI
InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChIKey
ILZSSCVGGYJLOG-UHFFFAOYSA-N

Physical Properties

Melting Point
343 to 345 °F (NTP, 1992)
Physical Description
Cobaltocene appears as black-purple crystals or black solid. Sublimes at 104 °F and 0.1 mmHg. (NTP, 1992) Black-purple or black solid; Insoluble in water; [CAMEO] Black-violet crystals
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store it in a freezer. All handling should be under an inert atmosphere. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
44.07
TPSA
0.0000

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H317 (29.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (26.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H341 (29.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (26.8%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P370+P378, P403, P405, and P501

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