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CAS 10101-53-8 Chromic sulfate molecular structure lightbox
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
17
H-bond acceptors
12
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
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
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

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