sodium (4-carboxylatophenyl)mercurol

• ChemBase编号: 137059
• 分子式: C7H5HgNaO3
• 平均质量: 360.69257
• 单一同位素质量: 361.9842813
• SMILES: c1cc(ccc1C(=O)[O-])[Hg]O.[Na+]
• Canonical SMILES: O[Hg]c1ccc(cc1)C(=O)[O-].[Na+]
• InChI: InChI=1S/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;2*+1;/p-2
• InChIKey: CBELQCYFTSHKPJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: sodium (4-carboxylatophenyl)mercurol
• IUPAC传统名: sodium (4-carboxylatophenyl)mercurol
• 别名: 4-(羟基汞)苯甲酸钠; 4-(羟基汞基)苯甲酸 钠盐; 对羟基汞苯甲酸 钠盐; 对羟基汞基苯甲酸钠盐; 4-氯苯甲酸汞 钠盐; PCMB; 4-(Hydroxymercurio)benzoic acid sodium salt; p-Hydroxymercuribenzoic acid sodium salt; Sodium 4-(hydroxymercurio)benzoate; p-Chloromercuriobenzoate; p-Chloromercuribenzoate; 4-(Hydroxymercuri)benzoic acid sodium salt

登记号

• CAS号: 138-85-2
• EC号: 205-340-5
• MDL号: MFCD00002527
• Beilstein号: 6118796
• PubChem SID: 24879457; 162231324
• PubChem CID: 23667696

理论计算性质

• Acid pKa: 3.8617046
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.7623521
• LogD (pH = 7.4): -3.421009
• Log P: -0.1181
• 摩尔折射率: 46.1322 cm^3
• 极化性: 20.729202 Å^3
• 极化表面积: 60.36 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: ≥300 °C

安全信息

• RTECS编号: OV8150000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2025
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 26/27/28-33-50/53
• 安全公开号: 13-28-36-45-60-61
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330-H373-H410
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; 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
• RID/ADR: UN 2025 6.1/PG 2

产品相关信息

• 纯度: ≥95.0% (Hg)
• 线性分子式: 4-HOHgC6H4CO2Na
• Empirical Formula (Hill Notation): C7H5HgNaO3

详细说明

Sigma Aldrich - 55540

Other Notes
(Appeared mistaken as p-chloromercuriobenzoate [PCMB] in earlier literature); For the determination of sulfhydryl groups in proteins according to Boyer1; By atomic absorption2; Stopped-flow measurements; G. Castronuovo-Lepore et al.3