4-[2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol

• ChemBase编号: 103553
• 分子式: C9H7N3O2S
• 平均质量: 221.23578
• 单一同位素质量: 221.02589748
• SMILES: Oc1ccc(/N=N/c2nccs2)c(O)c1
• Canonical SMILES: Oc1ccc(c(c1)O)/N=N/c1nccs1
• InChI: InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H
• InChIKey: SHNIKUXMZFPPCS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol; 4-[(E)-2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol
• IUPAC传统名: 4-[2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol; 4-[(E)-2-(1,3-thiazol-2-yl)diazen-1-yl]benzene-1,3-diol
• 别名: 4-2-噻唑间苯二酚; 4-(2-THIAZOLYLAZO) RESORCINOL; TAR; 2-(2,4-Dihydroxyphenylazo)thiazole; 4-(2-THIAZOLYLAZO)RESORCINOL; 4-(2-Thiazolylazo)resorcinol

登记号

• CAS号: 2246-46-0
• EC号: 218-836-1
• MDL号: MFCD00005322
• Beilstein号: 204257
• PubChem SID: 162090613; 24847777
• PubChem CID: 9571124

理论计算性质

• Acid pKa: 8.498273
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 3.1146183
• LogD (pH = 7.4): 3.081959
• Log P: 3.1150517
• 摩尔折射率: 59.0205 cm^3
• 极化性: 20.666557 Å^3
• 极化表面积: 78.07 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: 211 °C (dec.)(lit.); ca 211°C dec.

安全信息

• 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; 26-37
• TSCA收录: 否
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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): C9H7N3O2S

详细说明

MP Biomedicals - 05225673

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152125

Orange to orange-red powder
Metal indicator and photometric reagent for heavy metals. Recommended as an indicator for EDTA titrations of Cu (pH 3-8).

Sigma Aldrich - 127345

Application
Useful for the spectrophotometric determination of trace metals.
包装
1, 5 g in glass bottle

参考文献

• Reagent for determination of Cu and various other metals.