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CAS 13765-19-0 Calcium chromate(VI) molecular structure lightbox
CAS RN: 13765-19-0

Calcium chromate(VI)

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  • Product code: starshine_CAS13765-19-0
  • Purity/Analytical Methods: >99.0%
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13765-19-0 / calcium dioxido(dioxo)chromium

Standard CAS: 13765-19-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13765-19-0
Multi CAS
No
Molecular Formula
CaCrO4
Molecular Weight
156.070000
Exact Mass
155.882754
SMILES
[O-][Cr](=O)(=O)[O-].[Ca+2]
InChI
InChI=1S/Ca.Cr.4O/q+2;;;;2*-1
InChIKey
RFAFBXGYHBOUMV-UHFFFAOYSA-N

Physical Properties

Melting Point
1000 °C (decomposes)
Density
greater than 1 at 68 °F (USCG, 1999) 2.89 3.12 g/m³
Physical Description
Calcium chromate is a yellow powder. It is slightly soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to prevent its spread to the environment. Bright yellow powder or crystals; Sparingly soluble in water at 20 deg C; [ACGIH] YELLOW CRYSTALS OR POWDER.
Appearance
Yellow monoclinic rhombic crystals Bright yellow powder Yellow crystals
State
Solid
Storage Conditions
Provision to contain effluent from fire extinguishing. Dry. Well closed. Separated from combustible substances, reducing agents and food and feedstuffs. Store in an area without drain or sewer access. Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects. PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
6
H-bond acceptors
4
Molar refractivity
7.13
TPSA
80.26

LogP / Solubility

WLOGP
-3
MLOGP
-2.64
XLogP3
-3
Consensus LogP
-2.88
Log S (ESOL)
1.08
Class (ESOL)
Highly soluble
Log S (Ali)
1.33
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.81
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)
-5.8

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)
Irritant Health Hazard Environmental Hazard Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H350: May cause cancer [Danger Carcinogenicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P318, P319, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P405, and P501 P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P316, P318, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501
Hazard Class/Division
6.1
Packing Group
III

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