1,3-dichloro-5-sodio-1,3,5-triazinane-2,4,6-trione

• ChemBase编号: 146495
• 分子式: C3Cl2N3NaO3
• 平均质量: 219.94617
• 单一同位素质量: 218.92144052
• SMILES: c1(=O)n(c(=O)n(c(=O)n1Cl)Cl)[Na]
• Canonical SMILES: [Na]n1c(=O)n(Cl)c(=O)n(c1=O)Cl
• InChI: InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
• InChIKey: MSFGZHUJTJBYFA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1,3-dichloro-5-sodio-1,3,5-triazinane-2,4,6-trione
• IUPAC传统名: 1,3-dichloro-5-sodio-1,3,5-triazinane-2,4,6-trione
• 别名: 二氯异氰尿酸钠; 3,5-Dichloro-2-hydroxy-4,6-s-triazinedione sodium salt; Dichloro-s-triazinetrione sodium salt; Sodium dichloroisocyanurate

登记号

• CAS号: 2893-78-9
• EC号: 220-767-7
• MDL号: MFCD00036333
• PubChem SID: 162240691
• PubChem CID: 517121

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.0723
• LogD (pH = 7.4): -0.0723
• Log P: -0.0723
• 摩尔折射率: 34.6004 cm^3
• 极化性: 15.1654825 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: XZ1900000
• 欧盟危险性物质标志: 爆炸性(Explosive) (E); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2465
• 德国WGK号: 2
• 联合国危险货物等级: 5.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 2-8-22-31-36/37-50/53
• 安全公开号: 8-26-41-45-60-61
• GHS危险品标识: GHS03; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H272-H302-H319-H335-H410
• GHS警示性声明: P220-P261-P273-P305 + P351 + P338-P501
• 个人保护装置: Eyeshields, 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 2465 5.1/PG 2
• 欧盟补充危害声明: Contact with acids liberates toxic gas.

产品相关信息

• 纯度: 96%
• Empirical Formula (Hill Notation): C3Cl2N3NaO3

详细说明

Sigma Aldrich - 218928

包装
25, 500 g in poly bottle
Application
Reactant or reagent for:
• N-monochlorination and dehydrochlorination of amino esters1
• Chlorination to detect ammonium via formation of colored zebra-bands in a deteting tube2
• Synthesis of antimicrobial polyurethane additives to control biofilm3
• Preparation of bromochloroisocyanurate for electrophilic cobromination of alkenes and bromination of arenes4Studies in regard to its antimicrobial activity on fresh produce5 and for emergency disinfectant of contaminated drinking water6