dimethylarsinic acid

• ChemBase ID: 2703
• Molecular Formular: C2H7AsO2
• Molecular Mass: 137.99738
• Monoisotopic Mass: 137.96620046
• SMILES: C[As](=O)(C)O
• Canonical SMILES: C[As](=O)(O)C
• InChI: InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
• InChIKey: OGGXGZAMXPVRFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylarsinic acid
• IUPAC Traditional name: hydroxydimethylarsine oxide; cacodylate
• Synonyms: CACODYLIC ACID; As,As-Dimethylarsinic Acid; Ansar 138; Arsan; NSC 103115; NSC 71157; NSC 71158; Phytar; Silvisar 510; Sylvicor; Hydroxydimethylarsine Oxide; Dimethylarsinic acid; Dimethylarsonic acid; Hydroxydimethylarsine oxide; CACODYLIC ACID FREE ACID; Dimethylarsenic acid; Cacodylic acid; Hydroxydimethylarsine oxidd; Arsecodild; Ansad; Silvisad; Phytar 560, DMAd; UN 1572; Cacodylic acid; Dimethylarsinic acid; 二甲次胂酸; 二甲胂酸; 羟基二甲基氧化胂; 二甲基胂酸; 二甲基胂酸; 卡可基酸; 二甲胂酸

Database IDs

• CAS Number: 75-60-5
• EC Number: 200-883-4
• MDL Number: MFCD00002095
• Beilstein Number: 1736965
• Merck Index: 141604
• PubChem SID: 24899237; 46507712; 24852508; 160966152; 24892235
• PubChem CID: 2513
• CHEBI ID: 29839
• Chemspider ID: 2418
• DrugBank ID: DB02994
• KEGG ID: C07308
• Unique Ingredient Identifier: AJ2HL7EU8K
• Wikipedia Title: Cacodylic_acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 6.222334
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40412536
• LogD (pH = 7.4): -1.5005654
• Log P: -0.3292
• Molar Refractivity: 15.8989 cm^3
• Polarizability: 9.625453 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.48
• LOG S: 0.27
• Solubility (Water): 2.55e+02 g/l

PROPERTIES

Physical Property

• Solubility: 667 g/l in water
• Apperance: White crystals or powder
• Melting Point: 192 - 198 °C; 195°C; 200°C
• Boiling Point: > 200 °C
• pKa: 6.3

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: CH7525000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Highly toxic (T+)
• UN Number: 1572; UN1572
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 23/25-50/53; R:23/25; R26/27/28, R40
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 151
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H331-H400-H410; H301-H331-H410
• GHS Precautionary statements: P261-P273-P301 + P310-P311-P501; P261-P301+P310-P321-P304+P340-P405-P501A
• RID/ADR: UN 1572 6.1/PG 2

Product Information

• Purity: ≥98%; ≥99.0%; 98%
• Grade: analytical standard; SAJ first grade
• Packaging: ampule of 500 mg
• Linear Formula: (CH3)2As(O)OH

DETAILS

MP Biomedicals - 05209742

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02105644

Free Acid
Crystalline
Purity: 98%
This product is very hygroscopic. Care should also be used due to the poisonous nature of this product.

DrugBank - DB02994

Drug information: experimental

Sigma Aldrich - 20835

Application
Used as herbicides.
Packaging
10, 50 g in glass bottle

Toronto Research Chemicals - C052500

Cacodylic acid is used for dermatologic treatment in cronic eczema, anemia and as a tonic.

REFERENCES

• Mandal, B., et al.: Talanta, 58, 201 (2002)
• Naranmandura, H., et al.: Chem. Res. Toxicol., 20, 616 (2002)
• Naranmandura, H., et al.: Toxicol. Appl. Pharmacol., 227, 390 (2002)
• Violin, J., et al.: J. Biol. Chem., 283, 2949 (2002)