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Barium Chromate
CAS: 10294-40-3 | H2BaCrO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10294-40-3
Molecular Formula:
H2BaCrO4
Molecular Mass:
255.34 g/mol
Names and Synonyms:
Barium Chromate
Chromic acid (H2CrO4), barium salt (1:1)
Barium chromate(VI)
C.I. 77103
Barium chromate
Baryta yellow
C.I. Pigment Yellow 31
Lemon chrome
Ultramarine yellow
Barium chromate (1:1)
Lemon Yellow (inorganic pigment)
Barium chromate (BaCrO4)
Permanent yellow
Lemon Yellow
Pigment Yellow 31
Barium chromium oxide (BaCrO4)
Barium yellow
OP 206
Identifiers:
SMILES:
[Ba].[Cr+2].[OH-].[OH-].[O].[O]
InChI:
InChI=1S/Ba.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2
Key Properties
Density
4.50 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.34 g/mol | CAS Common Chemistry |
| 255.336 g/mol | RDKit | |
| 255.841063244 g/mol | RDKit | |
| Density | 4.50 g/cm³ | CAS Common Chemistry |
| 4.50 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Barium_chromate | CAS Common Chemistry |
| Canonical SMILES | [Ba].O=[Cr](=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ba.Cr.2H2O.2O/h;;2*1H2;;/q;+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=DCYCMHFULVQWRF-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Barium chromate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.0 Ų | RDKit |
| LogP | -0.9744999999999999 | RDKit |
| Molar Refractivity | 10.998600000000001 | RDKit |
