4-methyl-2-[2-(1,3-thiazol-2-yl)diazen-1-yl]phenol

• ChemBase编号: 103551
• 分子式: C10H9N3OS
• 平均质量: 219.26296
• 单一同位素质量: 219.04663292
• SMILES: Cc1cc(/N=N/c2nccs2)c(O)cc1
• Canonical SMILES: Cc1ccc(c(c1)/N=N/c1nccs1)O
• InChI: InChI=1S/C10H9N3OS/c1-7-2-3-9(14)8(6-7)12-13-10-11-4-5-15-10/h2-6,14H,1H3
• InChIKey: MZRKINSTWYZJLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-2-[2-(1,3-thiazol-2-yl)diazen-1-yl]phenol
• IUPAC传统名: 4-methyl-2-[2-(1,3-thiazol-2-yl)diazen-1-yl]phenol
• 别名: 2-(2--噻唑基偶氮)对甲酚; 2-(2-Thiazolylazo)-p-cresol; TAC; 2-(2-THIAZOLYLAZO)-p-CRESOL

登记号

• CAS号: 1823-44-5
• MDL号: MFCD00005323
• PubChem SID: 24857720; 162090612
• PubChem CID: 9576957

理论计算性质

• Acid pKa: 12.340678
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.932038
• LogD (pH = 7.4): 3.9320333
• Log P: 3.9320383
• 摩尔折射率: 62.0808 cm^3
• 极化性: 21.767746 Å^3
• 极化表面积: 57.84 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 130-132 °C(lit.)

安全信息

• 保存条件: 2-8°C
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• 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: 97%
• Empirical Formula (Hill Notation): C10H9N3OS

详细说明

MP Biomedicals - 02152122

Dark yellow-brown powder Metal indicator and photometric reagent for heavy metals. Produces yellow solution in water, that forms blue to yellow-green chelates with metal ions. Recommended as an indicator for EDTA titrations of Co, Cu and Ni (pH 6-10).

Sigma Aldrich - 294543

包装
1 g in glass bottle