(4-aminophenyl)arsonic acid

• ChemBase编号: 2713
• 分子式: C6H8AsNO3
• 平均质量: 217.05422
• 单一同位素质量: 216.97201412
• SMILES: Nc1ccc(cc1)[As](=O)(O)O
• Canonical SMILES: Nc1ccc(cc1)[As](=O)(O)O
• InChI: InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)
• InChIKey: XKNKHVGWJDPIRJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-aminophenyl)arsonic acid
• IUPAC传统名: 4-aminophenylarsonic acid; arsanilic acid
• 别名: 4-氨基苯胂酸; 胂酸苯胺; 胺苯胂酸; 对氨基苯胂酸; 对氨基苯砷酸; p-AMINOPHENYLARSONIC ACID; p-Arsanilic acid; (p-Aminophenyl)arsonic Acid; 4-Arsonoaniline; AS 101; Aminophenylarsine Acid; Arsanilic Acid 100; Atoxylic Acid; NSC 2023; Pro-gen; Pro-gen 227 Premix; Pro-gen 90; p-Aminobenzenearsonic Acid; p-Anilinearsonic Acid; p-Arsonoaniline; 4-Arsanilic Acid; 4-Aminophenylarsonic Acid; 4-Aminobenzenearsonic acid; 4-Aminophenylarsonic acid; 4-Arsanilic acid; Atoxyl; Arsanilic acid

登记号

• CAS号: 98-50-0
• EC号: 202-674-3
• MDL号: MFCD00007819
• Beilstein号: 1102334
• 默克索引号: 14792
• PubChem SID: 160966162; 24891428; 24846309; 46508500; 24869712
• PubChem CID: 7389; 6432805
• CHEBI ID: 49477
• CHEMBL: 351769
• Chemspider ID: 7111
• DrugBank ID: DB03006
• 维基百科标题: Arsanilic_acid

理论计算性质

JChem

• Acid pKa: 3.9523158
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.4230365
• LogD (pH = 7.4): -2.1049185
• Log P: -0.17482844
• 摩尔折射率: 36.7468 cm^3
• 极化性: 17.029375 Å^3
• 极化表面积: 83.55 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -0.42
• LOG S: -1.29
• 溶解度: 1.10e+01 g/l

分子性质

理化性质

• 溶解度: modest in water
• 外观: white solid
• 熔点: >300°C; ≥300 °C(lit.); 232 °C
• 密度: 1.957 g/cm^3

安全信息

• RTECS编号: CF7875000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3465; UN3465
• 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): 3; III
• 危险公开号: 23/25-50/53; R:23/25-58; R23-R25,R50-R53 23/25-50/53
• 安全公开号: 20/21-28-45-60-61; S:20/21-28-45-61; S20S21S28S45S60-S61
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• 主要危害: Toxic
• NFPA704:
  

  0

  2

  0
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3465 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (T); 98%
• 级别: purum; VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C6H8AsNO3

详细说明

MP Biomedicals - 05203968

MP Biomedicals Rare Chemical collection

DrugBank - DB03006

• Drug Groups: experimental
• Description: An arsenical which has been used as a feed additive for enteric conditions in pigs and poultry. It causes blindness and is ototoxic and nephrotoxic in animals. [PubChem]

Sigma Aldrich - A9258

包装
100 g in poly bottle

Sigma Aldrich - 31584

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - A774110

p-Arsanilic Acid is an organoarsenic compound. p-Arsanilic Acid is a highly toxic contaminant and can be found in plants growing in contaminated soil. p-Arsanilic Acid was used as an additive in animal feed. It has also been used in treating dysentery in

参考文献

• Schmidt, A.-C. et al.: Chemosphere, 73, 1781 (2008)
• Slesingr, L. et al.: Deutsche Tier. Wochensch., 76, 312 (2008)
• Clawson, A.J. et al.: J. Anim. Sci., 37, 918 (2008)