对甲苯磺酰异氰酸酯 | 4083-64-1
中文名称:
对甲苯磺酰异氰酸酯
英文名称:
p-Toluenesulfonyl isocyanate
CAS No.:
4083-64-1
分子式:
C8 H7 NO3 S
分子量:
197.2111
名称和标识符
MDL
MFCD00002030
InChIKey
VLJQDHDVZJXNQL-UHFFFAOYSA-N
Inchi
1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
SMILES
S(C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])(N=C=O)(=O)=O
BRN
391287
别名信息
- 中文别名 -
对甲苯磺酰异氰酸酯
4-甲基异氰酸苯磺酰酯
4-甲苯磺酰异氰酸酯
对甲苯硫代异氰酸酯
异氰酸对甲苯磺酰酯
对甲基苯磺酰异氰酸酯
p-Toluenesulfonyl Isocyanate 异氰酸对甲苯磺酰酯
对***磺酰异氰酸酯
对甲苯磺酰异氰酸酯 PTSI
对甲苯磺酰异氰酸酯 TI
- 英文别名 -
p-Toluenesulfonyl isocyanate
4-METHYLBENZENE-1-SULFONYL ISOCYANATE
4-TOLUENESULFONYL ISOCYANATE
PTSI
TOLUENE-4-SULFONYL ISOCYANATE
TOSYL ISOCYANATE
4-Isocyanatosulphonyltoluene
4-methyl-benzenesulfonylisocyanat
4-methyl-Benzenesulfonylisocyanate
4-Methylphenylsulfonyl isocyanate
Benzenesulfonyl isocyanate, 4-methyl-
p-Methylphenylsulfonyl isocyanate
p-Toluenesulfonic acid, anhydride with isocyanic acid
p-Toluensulfonyl isocyanate
p-Tolylsulfonyl isocyanate
p-Tosyl isocyanate
Sulfone, isocyanato tolyl
P-toluenesulfony6l isocyanate
p-Toluenesulfonyl isocyanate,AcroSeal
4-Methylbenzenesulfonyl isocyanate
p-Toluenesulphonyl isocyanate
Tosylisocyanate
VLJQDHDVZJXNQL-UHFFFAOYSA-N
4-methyl-N-(oxomethylidene)benzenesulfonamide
p-TOLUENE SULFONYL ISOCYANATE
DSSTox_CID_7558
DSSTox_RID_78504
DSSTox_GSID_27558
H9004FJX6V
(4-meth
Tosyl Isocyanate
p-Toluenesulfonyl isocyanate, 95%
物化性质
实验特性
LogP
2.10030
PSA
71.95000
折射率
n20/D 1.533-1.537 n20/D 1.534(lit.)
水溶性
起反应
沸点
144 °C/10 mmHg(lit.) 275-278 °C(lit.)
熔点
5°C
蒸气压
1 mmHg ( 100 °C)
闪点
华氏:293 °F 摄氏:145 °C
颜色与性状
透明液体
溶解性
reacts
敏感性
Moisture Sensitive
密度
1.291 g/mL at 25 °C(lit.)
计算特性
精确分子量
197.01500
氢键供体数量
0
氢键受体数量
4
可旋转化学键数量
2
同位素质量
197.015
重原子数量
13
复杂度
303
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
2.7
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
72
海关数据
海关编码
2929109000
海关数据
中国海关编码:
2929109000
概述:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
相关文献
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Organocatalytic sequential ring-opening polymerization of cyclic ester/epoxide and N-sulfonyl aziridine: metal-free and easy access to block copolymers
Huishan Huang,Wenyi Luo,Linlin Zhu,Ying Wang,Zhen Zhang Polym. Chem. 2021 12 5328
3.
Recent advances in reactions of aryl sulfonyl isocyanates
Dayun Huang,Guobing Yan Org. Biomol. Chem. 2017 15 1753
4.
Sulfonylcarbamate as a versatile and unique hydroxy-protecting group: a protecting group stable under severe conditions and labile under mild conditions
Shino Manabe,Masanori Yamaguchi,Yukishige Ito Chem. Commun. 2013 49 8332
5.
Pd-catalyzed amidation of 1,3-diketones with CO and azides via a nitrene intermediate
Zheng-Yang Gu,Jie Chen,Ji-Bao Xia Chem. Commun. 2020 56 11437
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Reactions of secondary propargylamines with heteroallenes for the synthesis of diverse heterocycles
Vsevolod A. Peshkov,Olga P. Pereshivko,Anton A. Nechaev,Anatoly A. Peshkov,Erik V. Van der Eycken Chem. Soc. Rev. 2018 47 3861
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Protonation and anion-binding properties of aromatic sulfonylurea derivatives
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Pushing the limits of catalytic C–H amination in polyoxygenated cyclobutanes
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参考资料
Reaxys RN
391287
Beilstein
391287
对甲苯磺酰异氰酸酯推荐生产厂家
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对甲基苯磺酰异氰酸酯
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对甲苯磺酰异氰酸酯
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