potassium 2-carboxybenzoate

• ChemBase编号: 103664
• 分子式: C8H5KO4
• 平均质量: 204.2212
• 单一同位素质量: 203.98249032
• SMILES: [K+].OC(=O)c1ccccc1C(=O)[O-]
• Canonical SMILES: OC(=O)c1ccccc1C(=O)[O-].[K+]
• InChI: InChI=1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
• InChIKey: IWZKICVEHNUQTL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 2-carboxybenzoate
• IUPAC传统名: potassium hydrogen phthalate; potassium ion hydrogen phthalate
• 别名: 邻苯二甲酸氢钾, 0.05N标准溶液; 邻苯二甲酸氢钾, 基准物, ACS; 缓冲溶液 pH 2.0（20°C）; 缓冲溶液 pH 9.0（20°C）; 邻苯二甲酸氢钾; 苯二甲酸氢钾; 邻苯二甲酸 单钾盐; 酞酸氢钾; 邻苯二甲酸氢钾; Potassium hydrogen phthalate, 0.05N Standardized Solution; Potassium hydrogen phthalate, primary standard, ACS; Buffer solution pH 2.0 (20°C); Buffer solution pH 9.0 (20°C); Potassium hydrogen phthalate; hydrogen potassium phthalate;; phthalic acid potassium salt;; potassium biphthalate;; potassium acid phthalate;; 1,2-benzenedicarboxylic acid,; monopotassium salt;; KHP; KHPh; Potassium hydrogen phthalate; Potassium Acid Phthalate; Potassium Biphthalate; 1,2-Benzenedicarboxylic Acid Monopotassium Salt; Hydrogen Potassium Phthalate; Phthalic Acid Monopotassium Salt; Potassium phthalate monobasic; POTASSIUM HYDROGEN PHTHALATE, ACS; Potassium hydrogen phthalate; KHP; Potassium phthalate monobasic

登记号

• CAS号: 877-24-7
• EC号: 231-791-2; 212-889-4
• MDL号: MFCD00013070
• Beilstein号: 3637128
• 默克索引号: 147612
• PubChem SID: 24860117; 24881852; 24881853; 24850834; 24869111; 24898152; 24869110; 24890269; 162091001
• PubChem CID: 23676735; 13413
• Chemspider ID: 12839
• 维基百科标题: Potassium_hydrogen_phthalate

理论计算性质

• Acid pKa: 2.9412112
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.533879
• LogD (pH = 7.4): -4.100739
• Log P: 1.2884116
• 摩尔折射率: 51.4075 cm^3
• 极化性: 14.991259 Å^3
• 极化表面积: 77.43 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

• 溶解度: 25 g/100 ml in water; H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble100 mg/mL, clear, colorless; slightly soluble in alcohol
• 外观: Liquid; White crystalline powder; White or colorless solid
• 熔点: ~295 °C (decomposes); 295-300 °C (dec.)(lit.); 295-300°C (dec); 297°C dec.
• 沸点: 97-98 °C/740 mmHg(lit.); 98.5-99.5 °C/740 mmHg(lit.)
• 闪点: Non-flammable
• 密度: 1.002 g/mL at 25 °C(lit.); 1.636; 1.636 g/cm^3; 1.636 g/ml
• 紫外吸收波长: λ: 330 nm Amax: ≤0.05; λ: 340 nm Amax: ≤0.03; λ: 350 nm Amax: ≤0.02; λ: 500 nm Amax: ≤0.02
• pKa: 5.4
• pH值: 2.00±0.02; 3.5-5.0; 3.5-5.0 (25 °C, 0.1 M in H2O); 4.00-4.02 (25.0 °C±0.2 °C, 0.05 M); 9.00±0.02

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: CZ4326000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3264
• 德国WGK号: 2; nwg
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: R:22; R36 R37 R38
• 安全公开号: S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• 主要危害: Irritant to eyes, skin,; and respiratory system
• GHS危险声明: H312-H303
• GHS警示性声明: P280-P302+P352-P322-P312-P363-P501A
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3264 8/PG 2

产品相关信息

• 纯度: ≥99%; ≥99.5%; ≥99.5% (T); ≥99.95%; 99%; 99.8-100.2%; 99.9-100.1%; 99.95-100.05%; 99.95-100.05% dry basis
• 级别: ACS; analytical standard (for titrimetry); for HPLC; JIS special grade; puriss. p.a.; REAGENT; TraceCERT®
• 适用性: corresponds for filter test
• 简要说明: qNMR Standard for D2O (8.2 ppm / 7.5 ppm)
• 杂质: <0.005% Insoluble matter; <0.005% Phosphorus (P); ≤0.002% S compounds; ≤0.003% Cl compounds; ≤0.005% insolubles; insoluble matter, passes filter test
• 痕量阳离子: Al: <0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: <0.005%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: <0.0005%; Cu: ≤5 mg/kg; Fe: <0.0005%; Fe: ≤5 mg/kg; Fe: ≤5 ppm; heavy metals (as Pb): ≤5 ppm; Li: ≤5 mg/kg; Mg: <0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: <0.005%; Na: ≤0.005%; Na: ≤100 mg/kg; NH4+: <0.05%; Ni: ≤5 mg/kg; Pb: <0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: <0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): <0.003%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤20 mg/kg; sulfate (SO42-): <0.002%; sulfate (SO42-): ≤50 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 干燥失重: ≤0.05% loss on drying, 110 °C; ≤0.2% loss on drying, 105 °C
• 品质说明: certified by BAM, according to ISO 17025
• λ: 10 % in H2O
• 产品线: BioUltra
• abs.: absorption0.1M/309 nm, H2O cut-off
• 线性分子式: HOOCC6H4COOK

详细说明

MP Biomedicals - 02152561

ACS Reagent Grade
Purity: 99.95 to 100.05% (dried basis)

Sigma Aldrich - 456098

General description
请访问 滴定中心 了解更多信息。
包装
500 mL in poly bottle

Sigma Aldrich - 456101

General description
请访问 滴定中心 了解更多信息。
包装
500 mL in poly bottle

Sigma Aldrich - 14659

Analysis Note
该有证标准物质 (CRM) 根据 ISO/IEC 17025 和 ISO 指南 34 生产和认证。该有证标准物质可溯源到 NIST 标准参考物质。
General description
证书上给出了含不确定度的认证含量（定量 NMR 法测定）和有效期。 证书下载：http://www.sigma-aldrich.com。
Other Notes
Chemical Shift: ~7-8 ppm (chemical shifts may slightly vary depending on the experimental conditions)suitable NMR solvents: D2O, MeOD
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC
Protocols & Applications
Certified Standards for Quantitative 1H-NMR (qNMR)

Sigma Aldrich - 60357

Analysis Note
精确浓度、有效期以及认证的详细信息请见每个包装内的证书和认证报告。含量和有效期见标签。

Sigma Aldrich - P1088

包装
100, 500 g in poly bottle

Sigma Aldrich - 179922

包装
1 kg in poly bottle
100, 500 g in poly bottle

Sigma Aldrich - 24-4100

Suitability
pH standard solution