CAS 12053-13-3 CHROMIUM SELENIDE molecular structure

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CAS RN: 12053-13-3

CHROMIUM SELENIDE

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Product code: starshine_CAS12053-13-3
Purity/Analytical Methods: >99.0%

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12053-13-3 / selanylidenechromium

Chromium selenide (CrSe) | EINECS 234-999-1 | RefChem:125890

Standard CAS: 12053-13-3 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12053-13-3

Multi CAS

Yes

Molecular Formula

CrSe

Molecular Weight

130.970000

Exact Mass

131.857030

SMILES

[Cr]=[Se]

InChI

InChI=1S/Cr.Se

InChIKey

UVZCKRKEVWSRGT-UHFFFAOYSA-N

Synonyms

Chromium selenide (CrSe) EINECS 234-999-1 RefChem:125890 DTXCID601436957 DTXSID001014274

Computed Properties

Structural Parameters

Heavy atom count

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)

-0.41

Class (ESOL)

Very soluble

Log S (Ali)

-0.36

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.19

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-3.79

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)

Acute Toxic Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501