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Arsanilic Acid
CAS: 98-50-0 | C6H8AsNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-50-0
Molecular Formula:
C6H8AsNO3
Molecular Mass:
217.06 g/mol
Names and Synonyms:
Arsanilic Acid
Pro-gen 227 Premix
p-Arsanilic acid
4-Aminobenzenearsonic acid
(p-Aminophenyl)arsonic acid
4-Arsanilic acid
AS 101
Pro-gen
4-Arsonoaniline
Pro-gen 90
Arsonic acid, As-(4-aminophenyl)-
Arsanilic acid
Arsonic acid, (4-aminophenyl)-
As-(4-Aminophenyl)arsonic acid
p-Aminobenzenearsonic acid
Aminophenylarsine acid
p-Anilinearsonic acid
Atoxylic acid
Arsanilic Acid 100
4-Aminophenylarsonic acid
p-Arsonoaniline
NSC 2023
Identifiers:
SMILES:
Nc1ccc([As](=O)(O)O)cc1
InChI:
InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
Key Properties
Melting Point
232 °C
CAS Common Chemistry
Density
1.96 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 | 217.06 g/mol | CAS Common Chemistry |
| 217.056 g/mol | RDKit | |
| 216.972014616 g/mol | RDKit | |
| Density | 1.96 g/cm³ | CAS Common Chemistry |
| 1.9571 g/cm3 @ Temp: 10 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Arsanilic_acid | CAS Common Chemistry |
| Canonical SMILES | O=[As](O)(O)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=XKNKHVGWJDPIRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232 °C | CAS Common Chemistry |
| Name | Arsanilic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.55000000000001 Ų | RDKit |
| LogP | -1.1702000000000004 | RDKit |
| Molar Refractivity | 41.3665 | RDKit |
