3,5-dichloro-2,6-dimethylpyridin-4-ol

• ChemBase编号: 157687
• 分子式: C7H7Cl2NO
• 平均质量: 192.04258
• 单一同位素质量: 190.99046921
• SMILES: Cc1c(c(c(c(n1)C)Cl)O)Cl
• Canonical SMILES: Cc1nc(C)c(c(c1Cl)O)Cl
• InChI: InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
• InChIKey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-dichloro-2,6-dimethylpyridin-4-ol
• IUPAC传统名: clopidol
• 别名: 3,5-二氯-2,6-二甲基-4-羟基吡啶; 氯吡多; 3,5-dichloro-2,6-dimethylpyridin-4-ol; 3,5-Dichloro-2,6-dimethyl-4-pyridinol; Clopidol; 3,5-Dichloro-2,6-dimethyl- 4-pyridinol; 3,5-Dichloro-4-hydroxy-2,6-dimethylpyridine; Methylclorpindol; Meticlorpindol; Coyden; Clopindol; Farmcoccid; Coccidiostat C; Lerbek; NSC 253479; Pharmcoccid; WR 61112; Clopidol

登记号

• CAS号: 2971-90-6
• EC号: 221-008-2
• MDL号: MFCD00867211; MFCD00476735; MFCD22123390
• PubChem SID: 162251824; 24860696
• PubChem CID: 18087

理论计算性质

• Acid pKa: 7.5590134
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.9190449
• LogD (pH = 7.4): 1.7006065
• Log P: 1.9228377
• 摩尔折射率: 44.6746 cm^3
• 极化性: 17.455751 Å^3
• 极化表面积: 33.12 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.87

安全信息

• RTECS编号: UU7711500
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 95+%
• 级别: VETRANAL™, analytical standard

详细说明

Sigma Aldrich - 33988

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 33988.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - C587285

An antibiotic used in veterinary medicine as a coccidiostat in poultry. Showed low order of acute and chronic toxicity in animals.

参考文献

• Smith, D.N., et al.: Poult. Sci. 48, 420 (1969)
• Plisek, et al.: Vet. Spofa, 12, 111 (1969)