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对甲苯磺酸一水合物

144篇引用文献 COA COA
    级别和纯度:
  • AR
    •
  • ≥98.5%
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货号 (SKU) 包装规格 是否现货 价格 数量
T104290-100g
 100g 现货 Stock Image
T104290-500g
 500g 现货 Stock Image
T104290-2.5kg
 2.5kg 现货 Stock Image
T104290-12×500g
 12×500g 现货 Stock Image
T104290-10kg
 10kg 现货 Stock Image
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元素分类的化合物 (2083) 含硫化合物 (993) 对甲苯磺酸类 (1) 有机催化剂 (59) 酸 (51)
main product photo

基本描述

别名 4-甲苯磺酸一水合物 | p-甲苯磺酸 一水合物
英文别名 p-Toluenesulfonic acid monohydrate | p-Toluenesulphonic acid monohydrate | 4-Methylbenzenesulfonic acid monohydrate | 4-toluenesulfonic acid monohydrate | 4-methylbenzenesulfonic acid hydrate | Benzenesulfonic acid, 4-methyl-, monohydrate | TsOH monohydra
规格或纯度 AR, ≥98.5%
英文名称 p-Toluenesulfonic acid monohydrate
生化机理 对甲苯磺酸一水合物是有机合成中的一种有机可溶性酸催化剂。该催化剂可用于羧酸的酯化或酯的酯交换反应。该化合物还被用作酮和醛还原胺化反应的还原剂。在对甲苯磺酸一水合物的存在下，通过缩合反应合成了新型的去氮黄素-胆甾烷杂化物。在对甲苯磺酸一水合物的存在下，还合成了 2-苯基乙基 alpha-葡萄糖苷。
储存温度 充氩
运输条件 常规运输
产品介绍

易溶于水、醇和醚，极易潮解，易使棉织物、木材、纸张等碳水化合物脱水而碳化，难溶于苯和甲苯。碱熔时生成对甲酚。本品有时会以含1分子结晶水或4分子结晶水存在。 有机合成、测定伯胺类、染料工业。

p-Toluenesulfonic acid monohydrate, an oxonium salt, is an inexpensive and easy to handle organic catalyst used in organic synthesis. The study of its crystalline structure shows that it is monoclinic with P21/c space group. Its solubility in aqueous sulfuric acid solutions has been studied
A catalyst in esterification, reductive amination, and synthesis of bio-compounds.


Application：

p-Toluenesulfonic acid monohydrate is used as a catalyst in the synthesis of resveratrol, in oxane derivatives as an antimalarial agent, as substituted piperidine and unsymmetrical benzyl. It acts as a catalyst in the preparation of 1,3,5-trisubstituted pyrazoles derivatives, selenated ketene dithioacetals, triazoloquinazolinone and benzimidazoquinazolinone derivatives. It also serves as an intermediate in the esterification and in reductive amination reactions.
纯度 ≥98.5%

名称和识别符

EC号 203-180-0
分子类型 小分子
IIUPAC Name 4-methylbenzenesulfonic acid;hydrate
INCHI 1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
InChi Key KJIFKLIQANRMOU-UHFFFAOYSA-N
Smiles CC1=CC=C(C=C1)S(=O)(=O)O.O
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)O.O
关联CAS 104-15-4
UN Number 2585
Packing Group III
分子量 190.22
Beilstein号 3568023
Reaxy-Rn 3568023

化学和物理性质

溶解性 Soluble in water, alcohols, ether，and other polar organic solvents.
密度 1.24
敏感性 易吸潮
闪点(℉) 302°F
闪点(℃) 150℃
沸点 140 °C/20 mmHg
熔点 103-107℃
分子量 190.220 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 1
精确质量Exact Mass 190.03 Da
单同位素质量Monoisotopic Mass 190.03 Da
拓扑极表面积Topological Polar Surface Area 63.800 Ų
重原子数Heavy Atom Count 12
形式电荷Formal Charge 0
复杂度Complexity 206.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 2

安全和危险性（GHS）

象形图 GHS05,   GHS07
信号词 危险
危险声明

H290: 可能腐蚀金属

H314: 造成严重的皮肤灼伤和眼睛损伤

H335: 可能引起呼吸道刺激

H412: 对水生生物有害并具有长期持续影响
预防措施声明

P234: 仅保存在原始容器中

P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P273: 避免释放到环境中。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P310: 立即致电解毒中心或医生。

P363: 再次使用之前，请清洗受污染的衣物。

P390: 吸收溢出物以防止材料损坏。

P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。

P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P405: 密闭存放

P406: 存放在带有耐腐蚀内衬的耐腐蚀/ ...容器中。

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。
WGK Germany 1
RTECS DB7164000
Class 8
Merck Index 9533
个人防护装备 dust mask type N95 (US),Eyeshields,Faceshields,Gloves

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批号(Lot Number) 证书类型 货号
J2516700 分析证书 T104290
J2516699 分析证书 T104290
J2516701 分析证书 T104290
F2519311 分析证书 T104290
F2519295 分析证书 T104290
F2519741 分析证书 T104290
F2519740 分析证书 T104290
D2527280 分析证书 T104290
D2527279 分析证书 T104290
D2527277 分析证书 T104290
D2527278 分析证书 T104290
C2525717 分析证书 T104290
C2525808 分析证书 T104290
C2525476 分析证书 T104290
C2525804 分析证书 T104290
L2424678 分析证书 T104290
L2424597 分析证书 T104290
L2424596 分析证书 T104290
L2424480 分析证书 T104290
J2429682 分析证书 T104290
J2429636 分析证书 T104290
E2516097 分析证书 T104290
J2429638 分析证书 T104290
F2411459 分析证书 T104290
F2411457 分析证书 T104290
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L2427184 分析证书 T104290
C2412507 分析证书 T104290
C2412506 分析证书 T104290
C2412508 分析证书 T104290
G23121469 分析证书 T104290
G23121473 分析证书 T104290
F2301903 分析证书 T104290
F2301909 分析证书 T104290
F2301919 分析证书 T104290
F2301926 分析证书 T104290
G23121464 分析证书 T104290
A2411086 分析证书 T104290
J2215167 分析证书 T104290
J2215166 分析证书 T104290
K22301369 分析证书 T104290
K22301370 分析证书 T104290
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E2306074 分析证书 T104290
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F2208009 分析证书 T104290
A2212374 分析证书 T104290
A2212376 分析证书 T104290
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引用文献

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