CAS RN: 13478-45-0

NIOBIUM BROMIDE

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  • Product code: starshine_CAS13478-45-0
  • Purity/Analytical Methods: >99.0%
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13478-45-0 / pentabromoniobium

Standard CAS: 13478-45-0 Multi CAS: No

Basic Information

CAS
13478-45-0
Multi CAS
No
Molecular Formula
Br5Nb
Molecular Weight
492.430000
Exact Mass
491.493960
SMILES
Br[Nb](Br)(Br)(Br)Br
InChI
InChI=1S/5BrH.Nb/h5*1H;/q;;;;;+5/p-5
InChIKey
DSYRJFDOOSKABR-UHFFFAOYSA-I

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Molar refractivity
44.63
TPSA
0.0000

LogP / Solubility

WLOGP
4.23
MLOGP
3.75
XLogP3
4.23
Consensus LogP
4.07
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
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)
-2.72

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P260, P261, 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, P362+P364, P363, P405, and P501

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