dimethylarsinic acid

• ChemBase编号: 2703
• 分子式: C2H7AsO2
• 平均质量: 137.99738
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: dimethylarsinic acid
• IUPAC传统名: hydroxydimethylarsine oxide; cacodylate
• 别名: 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; 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

登记号

• CAS号: 75-60-5
• EC号: 200-883-4
• MDL号: MFCD00002095
• Beilstein号: 1736965
• 默克索引号: 141604
• PubChem SID: 24852508; 24899237; 46507712; 160966152; 24892235
• PubChem CID: 2513
• CHEBI ID: 29839
• Chemspider ID: 2418
• DrugBank ID: DB02994
• KEGG ID: C07308
• 美国药典/FDA物质标识码: AJ2HL7EU8K
• 维基百科标题: Cacodylic_acid

理论计算性质

JChem

• Acid pKa: 6.222334
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.40412536
• LogD (pH = 7.4): -1.5005654
• Log P: -0.3292
• 摩尔折射率: 15.8989 cm^3
• 极化性: 9.625453 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.48
• LOG S: 0.27
• 溶解度: 2.55e+02 g/l

分子性质

理化性质

• 溶解度: 667 g/l in water
• 外观: White crystals or powder
• 熔点: 192 - 198 °C; 195°C; 200°C
• 沸点: > 200 °C
• pKa: 6.3

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: CH7525000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1572; UN1572
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 23/25-50/53; R:23/25; R26/27/28, R40
• 安全公开号: 20/21-28-45-60-61; S:28-45-20/21
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 151
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H331-H400-H410; H301-H331-H410
• GHS警示性声明: P261-P273-P301 + P310-P311-P501; P261-P301+P310-P321-P304+P340-P405-P501A
• RID/ADR: UN 1572 6.1/PG 2

产品相关信息

• 纯度: ≥98%; ≥99.0%; 98%
• 级别: analytical standard; SAJ first grade
• 包装: ampule of 500 mg
• 线性分子式: (CH3)2As(O)OH

详细说明

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.
包装
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.

参考文献

• 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)