N-chloro-4-methyl-N-sodiobenzene-1-sulfonamide trihydrate

• ChemBase编号: 102968
• 分子式: C7H13ClNNaO5S
• 平均质量: 281.68959
• 单一同位素质量: 281.01006548
• SMILES: O.O.O.Cc1ccc(cc1)S(=O)(=O)N([Na])Cl
• Canonical SMILES: [Na]N(S(=O)(=O)c1ccc(cc1)C)Cl.O.O.O
• InChI: InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1
• InChIKey: NZYOAGBNMCVQIV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-chloro-4-methyl-N-sodiobenzene-1-sulfonamide trihydrate
• IUPAC传统名: N-chloro-4-methyl-N-sodiobenzenesulfonamide trihydrate
• 别名: N-氯代对甲苯磺酰胺 钠盐; 氯胺; 氯胺T 三水合物; N-Chloro-p-toluenesulfonamide sodium salt trihydrate; CHLORAMINE T SODIUM SALT TRIHYDRATE; N-Chloro-p-toluenesulfonamide sodium salt; Chloraminum; Chloramine T trihydrate

登记号

• CAS号: 7080-50-4; 127-65-1
• EC号: 204-854-7
• MDL号: MFCD00149066
• Beilstein号: 3924168
• PubChem SID: 162090780; 24847443; 24858864; 24865128; 24853814
• PubChem CID: 517414

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.9335
• LogD (pH = 7.4): 0.9335
• Log P: 0.9335
• 摩尔折射率: 47.7934 cm^3
• 极化性: 20.932407 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: passes test
• 熔点: 167-170 °C(lit.); Decomposes prior to melting
• 闪点: 192 °C (closed cup); 192 °C; 377.6 °F
• 密度: bulk density 540 - 680 kg/m3
• pH值: 8.0-10.0 (25 °C, 5%); 8-10 (20 °C, 5%)

安全信息

• 保存条件: 2-8°C, Store Under Nitrogen, Protect from light
• RTECS编号: XT5616800
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1481; 3263
• 德国WGK号: 2
• 联合国危险货物等级: 5.1; 8
• 联合国危险货物包装类别(PG): 3; II
• 澳大利亚Hazchem: 2WE
• 危险公开号: 22-31-34-42; R:22-31-34-42
• 安全公开号: 7-22-26-36/37/39-45; S:7-22-26-45-36/37/39
• 欧盟危险货物分类: O2
• 欧盟危险识别号(EUHIN): 5.1B
• 美国ERG指导号: 140
• GHS危险品标识: GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H314-H334
• GHS警示性声明: P261-P280-P305 + P351 + P338-P310
• 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
• RID/ADR: UN 3263 8/PG 3
• 欧盟补充危害声明: Contact with acids liberates toxic gas.

产品相关信息

• 纯度: ≥98.0%; ≥98.0% (RT); ≥99%; 98%; 98.0-103.0% (ACS specification); 98-103%
• 级别: ACS reagent; JIS special grade; Ph Eur; puriss. p.a.; purum p.a.; Reag. Ph. Eur.
• 适用性: complies for appearance of solution; passes test for determination of bromide
• 杂质: <1.5% insolubles (alcohol); ≤1.5% insoluble in ethanol; ≤2% insoluble in ethanol; ortho compounds, complies
• 品质说明: for the detection of halogens and bromate; meets analytical specification of Ph. Eur., BP
• 药典: testing & handling conforms to Pharmacopeia
• 线性分子式: CH3C6H4SO2NClNa · 3H2O

详细说明

MP Biomedicals - 02150115

Crystalline
Sodium Salt
Trihydrate
Reagent for selective oxidation of methionine.

Sigma Aldrich - 402869

Application
氮杂环丙烷反应1,2,3,4,5,6和氨羟化反应的氮烯来源。7,8,9
包装
1 kg in poly bottle
100 g in poly bottle
能通过氧化环化生成多种杂环化合物。10,11

Sigma Aldrich - 23270

Other Notes
综述1,2；制备高比放射性 131I 标记物质的氧化剂3；甲硫氨酸选择氧化的试剂4
包装
1 kg in poly bottle
50, 250 g in poly bottle

参考文献

• Trout, G.E., Anal. Biochem. , 93 : 419 (1979).
• For Chloramine-T iodination kits and ¹25 I, please see the Radiochemicals Section.