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CAS 13451-11-1 TANTALUM (V) BROMIDE molecular structure lightbox
CAS RN: 13451-11-1

TANTALUM (V) BROMIDE

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  • Product code: starshine_CAS13451-11-1
  • Purity/Analytical Methods: >99.0%
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13451-11-1 / pentabromotantalum

Standard CAS: 13451-11-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13451-11-1
Multi CAS
No
Molecular Formula
Br5Ta
Molecular Weight
580.470000
Exact Mass
579.535590
SMILES
Br[Ta](Br)(Br)(Br)Br
InChI
InChI=1S/5BrH.Ta/h5*1H;/q;;;;;+5/p-5
InChIKey
GCPVYIPZZUPXPB-UHFFFAOYSA-I

Computed Properties

Structural Parameters

Heavy atom count
6
Molar refractivity
44.63
TPSA
0.0000

LogP / Solubility

WLOGP
4.23
MLOGP
3.76
XLogP3
4.23
Consensus LogP
4.07
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (65.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (60.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501

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