CAS RN: 12006-84-7
IRON BORIDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS12006-84-7
- Purity/Analytical Methods: >99.0%
12006-84-7 / boranylidyneiron
Iron boride (FeB) | EINECS 234-489-9 | DTXSID9065154
Basic Information
CAS
12006-84-7
Multi CAS
Yes
Molecular Formula
BFe
Molecular Weight
66.660000
Exact Mass
66.944241
SMILES
B#[Fe]
InChI
InChI=1S/B.Fe
InChIKey
ZDVYABSQRRRIOJ-UHFFFAOYSA-N
Synonyms
Iron boride (FeB)
EINECS 234-489-9
DTXSID9065154
RefChem:148784
DTXCID4033556
Physical Properties
Physical Description
Grey odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
2
Molar refractivity
5.75
TPSA
0.0000
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.35
XLogP3
-0.38
Consensus LogP
-0.37
Log S (ESOL)
-0.01
Class (ESOL)
Very soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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