benzene-1,2,3-triol

• ChemBase编号: 70563
• 分子式: C6H6O3
• 平均质量: 126.11004
• 单一同位素质量: 126.03169405
• SMILES: c1(c(c(ccc1)O)O)O
• Canonical SMILES: Oc1c(O)cccc1O
• InChI: InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
• InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzene-1,2,3-triol
• IUPAC传统名: pyrogallol
• 别名: 1,2,3-三羟基苯; 焦性没食子酸 溶液; 焦棓酚, ACS; 1,2,3-苯三酚; 邻苯三酚; 邻苯三酚红; 焦棓酸; Benzene-1,2,3-triol; Pyrogallol; Pyrogallol solution; Pyrogallol, ACS; Pyrogallic acid; 1,2,3-Trihydroxybenzene; 1,2,3-Benzenetriol; C.I. 76515; Fouramine Brown AP; PYROGALLOL, ACS; Pyrogallol; Pyrogallolum

登记号

• CAS号: 87-66-1
• EC号: 201-762-9
• MDL号: MFCD00002192
• Beilstein号: 907431
• 默克索引号: 148000
• PubChem SID: 24898098; 24855345; 24849868; 162036278; 24888084
• PubChem CID: 1057
• CHEBI ID: 16164
• CHEMBL: 307145
• Chemspider ID: 13835557
• 美国药典/FDA物质标识码: 01Y4A2QXY0
• 维基百科标题: Pyrogallol

理论计算性质

• Acid pKa: 8.937265
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 1.0623924
• LogD (pH = 7.4): 1.0502108
• Log P: 1.0625498
• 摩尔折射率: 32.0007 cm^3
• 极化性: 12.182045 Å^3
• 极化表面积: 60.69 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

• 外观: Powder
• 熔点: 131°C; 131-133 °C; 131–134 °C; 131-135°C; 132-134 °C; 133-134 °C(lit.)
• 沸点: 309 °C (sublimes when slowly heated); 309 °C(lit.); 309°C; 309 °C; 309°C
• 密度: 1.082 g/mL at 20 °C; 1.45; 1.45 g/cm^3; 1.453 at 4 °C (water = 1)
• 折射率: n20/D 1.387
• 蒸汽压: 10 mm Hg at 167.7 °C, 20 mm Hg at 185 °C; 10 mmHg ( 167.7 °C)
• 蒸汽密度: 4.4 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Store Under Nitrogen, Protect from light
• 保存注意事项: Air & Light Sensitive; IRRITANT; Light Sensitive
• RTECS编号: UX2800000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 2
• 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: 20/21/22-52/53-68; 20/21/22-68-52/53; R:20/21/22-36-40-52/53; R:20/21/22-40-52/53
• 安全公开号: 36/37-61; S:26-61-36/37; S:61-36/37
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H302-H312-H332-H341-H412; H302-H331-H341-H412; H341-H302-H312-H332-H412
• GHS警示性声明: P261-P273-P281-P311; P261-P280-P281-P302+P352-P405-P501A; P273-P280
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~99%; ≥98% (HPLC); ≥98.0%; ≥98.0% (HPLC); ≥99%; ≥99.0%; 95+%; 98%; 98+%; 99%
• 浓度: ~25% in H2O
• 级别: ACS; ACS reagent; analytical standard; JIS special grade; puriss.; purum; REAGENT; SAJ first grade
• 燃烧残渣: ≤0.005%; ≤0.005% (as SO4); ≤0.05%
• 杂质: ≤0.5% water
• 痕量阳离子: Fe: ≤0.001%; heavy metals (as Pb): ≤0.0005%; heavy metals (as Pb): ≤5 ppm
• 痕量阴离子: chloride (Cl-): ≤0.001%; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤20 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: for the absorption of oxygen in gas analysis; meets analytical specification of Ph. Helv. 7
• 线性分子式: C6H3(OH)3
• Empirical Formula (Hill Notation): C6H6O3

详细说明

MP Biomedicals - 02151993

Crystalline
Purity: ~99%
Reagent for antimony and bismuth.

MP Biomedicals - 05217202

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152568

ACS Reagent Grade

MP Biomedicals - 02193569

Purity: 98%
Light sensitive

Sigma Aldrich - P0381

Quality
可能带有黑斑。

Sigma Aldrich - 254002

Application
金属络合剂
包装
10, 50, 250 g in glass bottle