CAS 10101-53-8 Chromic sulfate molecular structure

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CAS RN: 10101-53-8

Chromic sulfate

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10101-53-8 / bis(chromium(3+));trisulfate

CHROMIC SULFATE | Chromium(III) sulfate | Chromic sulphate

Standard CAS: 10101-53-8 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

10101-53-8

Multi CAS

Yes

Molecular Formula

Cr2O12S3

Molecular Weight

392.200000

Exact Mass

391.736198

SMILES

[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cr+3].[Cr+3]

InChI

InChI=1S/2Cr.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6

InChIKey

GRWVQDDAKZFPFI-UHFFFAOYSA-H

Synonyms

CHROMIC SULFATE Chromium(III) sulfate Chromic sulphate Dichromium trisulfate Chromium sulphate

Physical Properties

Melting Point

212 °F (USCG, 1999) Decomposes >700 °C

Boiling Point

Loses water of hydration at 212.0 °F; Cr2(SO4)3 x 18 H2O loses 12 H2O; Cr2(SO4)3 x 15 H2O loses 10 H2O (USCG, 1999)

Density

3.012 at 68 °F for anhydrous salt; Hydrated: 1.867 at 17 °C for salt with 15 H2O; 1.7 at 22 °C for salt with 18 H2O (USCG, 1999) 3.012

Physical Description

Chromic sulfate is a dark green to violet crystalline material. Used in paints and inks, ceramics, and in textile dyeing. It is noncombustible. The primary hazard of this material is the potential for environmental damage if released. Immediate steps should be taken to limit its spread to the environment. Chromosulfuric acid is a colorless, oily liquid. It is soluble in water with the release of heat. It is corrosive to skin and metals. Dark-green to violet crystals; [CAMEO] Violet, red, peach solid; Insoluble in water; [ACGIH]

Appearance

Peach-colored solid Red powder Violet or red powder

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

Molar refractivity

31.42

TPSA

240.78

LogP / Solubility

WLOGP

-4.02

MLOGP

-3.51

XLogP3

-4.02

Consensus LogP

-3.85

Log S (ESOL)

0.26

Class (ESOL)

Highly soluble

Log S (Ali)

0.13

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

1.13

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-7.97

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Corrosive Irritant Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

Not Classified Reported as not meeting GHS hazard criteria by 2019 of 2157 companies (only 6.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes

P203, P233, P260, P261, P264, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 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