benzene-1,4-diol

• ChemBase编号: 102977
• 分子式: C6H6O2
• 平均质量: 110.11064
• 单一同位素质量: 110.03677943
• SMILES: Oc1ccc(O)cc1
• Canonical SMILES: Oc1ccc(cc1)O
• InChI: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
• InChIKey: QIGBRXMKCJKVMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzene-1,4-diol
• IUPAC传统名: α-hydroquinone
• 别名: 1,4-二羟基苯; 1,4-苯二酚; 对苯二酚; Quinol; 1,4-dihydroxybenzene; 1,4-Benzenediol; 1,4-Dihydroxybenzene; HYDROQUINONE; Hydroquinone; Idrochinone; Quinol/1-4 dihydroxy benzene/1-4 hydroxy benzene; HQ; Hydroquinone; 1,4-Benzoquinol; Dihydroquinone; Eldopacque; Eldopaque; Eldopaque Forte; Eldoquin; 4-Hydroxyphenol; p-Hydroxyphenol; p-Phenylenediol; p-Quinol

登记号

• CAS号: 123-31-9
• EC号: 204-617-8
• MDL号: MFCD00002339
• Beilstein号: 605970
• 默克索引号: 144808
• PubChem SID: 24895484; 162091315; 24278475; 24895587
• PubChem CID: 785
• CHEBI ID: 17594
• ATC码: D11AX11
• CHEMBL: 537
• Chemspider ID: 764
• KEGG ID: D00073
• 美国药典/FDA物质标识码: XV74C1N1AE
• 维基百科标题: Hydroquinone

理论计算性质

• Acid pKa: 9.676284
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.3660864
• LogD (pH = 7.4): 1.3638346
• Log P: 1.3661152
• 摩尔折射率: 30.0198 cm^3
• 极化性: 11.536991 Å^3
• 极化表面积: 40.46 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

• 溶解度: 5.9 g/100 mL (15 °C) in water; DMSO; H2O: soluble50 mg/mL, clear; Methanol; Water
• 外观: Off-White Solid; white solid
• 熔点: 170 - 171 °C; 170-171°C; 170-172°C; 171-173 °C; 171-175 °C; 172°C; 172-175 °C(lit.)
• 沸点: 285 °C(lit.); 285-287°C; 287 °C at 1013 hPa; 287°C
• 闪点: 165 °C (closed cup); 165 °C; 165°C(329°F); 329 °F
• 自燃点: 515 °C at 1013 hPa; 930 °F
• 密度: 1.3 g cm^-3, solid; 1.320; 1.358 g/cm^3 at 20 °C
• 蒸汽压: .00002 hPa at 25 °C; 1 mmHg ( 132 °C)
• 蒸汽密度: 3.81 (air = 1); 3.81 (vs air)

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C), Protect from light
• RTECS编号: MX3500000
• 欧盟危险性物质标志: Carc. Cat. 3; Dangerous for the environment (N); Harmful (Xn); Muta. Cat. 3; 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2662; UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2Z
• 危险公开号: 22-40-41-43-50-68; 22-40-41-43-68-50; R:22-40-41-43-50; R22 R40 R41 R43 R50 R68
• 安全公开号: 26-36/37/39-61; S:26-61-36/37/39; S2 S26 S36/37/39 S61
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  1

  2
• GHS危险声明: H302-H317-H318-H341-H351-H400; H318-H341-H351-H400-H302-H317
• GHS警示性声明: P273-P280-P305 + P351 + P338; P280-P273-P305+P351+P338
• 个人保护装置: 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

产品相关信息

• 纯度: ≥99%; ≥99.0%; ≥99.0% (HPLC); ≥99.5%; ≥99.5% (HPLC); 99%
• 级别: puriss.; ReagentPlus®; SAJ first grade; SAJ special grade
• 适用性: meets USP testing specifications; suitable for pesticide residue analysis; suitable for photographic applications
• 燃烧残渣: ≤0.1% (as SO4)
• 杂质: ≤0.002% heavy metals (as Pb); ≤0.6% water (Karl Fischer)
• 痕量阴离子: chloride (Cl-): ≤500 mg/kg; chloride (Cl-): ≤500 ppm; sulfate (SO42-): ≤300 mg/kg; sulfate (SO42-): ≤300 ppm
• 线性分子式: C6H4-1,4-(OH)2
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 02150131

Crystalline

Sigma Aldrich - H9003

包装
1 kg in poly bottle
100, 500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - H17902

包装
100, 500 g in poly bottle
2 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - H714715

Hydroquinone is used as photographic reducer and developer; as reagent in the determination of small quantities of phosphate; as antioxidant. Depigmentor.

参考文献

• Woodard, et al.: Fed. Proc., 8, 348 (1949)
• Kari, F.W., et al.: Food Chem. Toxicol., 30, 737 (1949)
• Forms inclusion compounds (clathrates) with three molecules of hydroquinone held together by H bonds to form a cage in which a single guest molecule can be accommodated. For a review, see: D. D. MacNicol in Inclusion Compounds, Vol. 2, J. L. Atwood et al, Eds., Academic Press, London (1984), p1.
• A stable 1:1 complex with hydrazine has been isolated and found to be a useful, safer replacement for anhydrous hydrazine, e.g. in the solid state reaction with esters to give hydrazides: J. Chem. Soc.,Chem. Commun., 1531 (1995).
• Widely used as a radical trap to inhibit polymerization and peroxidation reactions.