CAS 12007-23-7 HAFNIUM BORIDE molecular structure

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CAS RN: 12007-23-7

HAFNIUM BORIDE

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Purity/Analytical Methods: >99.0%

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12007-23-7 / HAFNIUM BORIDE

EINECS 234-500-7 | RefChem:144999 | Hafnium boride (HfB2)

Standard CAS: 12007-23-7 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

12007-23-7

Multi CAS

Yes

Molecular Formula

B2Hf

Molecular Weight

200.110000

Exact Mass

201.965170

SMILES

[B].[B].[Hf]

InChI

InChI=1S/2B.Hf

InChIKey

LRTTZMZPZHBOPO-UHFFFAOYSA-N

Synonyms

EINECS 234-500-7 RefChem:144999 Hafnium boride (HfB2) Hafnium boride Hafnium diboride

Physical Properties

Physical Description

Grey odorless powder

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Molar refractivity

11.51

TPSA

0.0000

LogP / Solubility

WLOGP

-0.76

MLOGP

-0.67

XLogP3

-0.76

Consensus LogP

-0.73

Log S (ESOL)

-0.6

Class (ESOL)

Very soluble

Log S (Ali)

-0.65

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.33

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.48

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501