名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据生产方法和用途相关文献专业数据库参考参考资料相关分类相关产品

对甲砜基甲苯 | 3185-99-7

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中文名称：对甲砜基甲苯

英文名称： Methyl p-Tolyl Sulfone

CAS No.： 3185-99-7

分子式： C₈H₁₀O₂S

分子量： 170.2288

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：对甲砜基甲苯结构式

MSDS：对甲砜基甲苯MSDS

PubChem CID： 18521

价格行情：对甲砜基甲苯价格

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对甲砜基甲苯的其他展现形式

相关化合物

苯基对甲苯磺酸

1-Methyl-4-(phenylsulfonyl)benzene

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4-甲基苯亚磺酸甲酯

Benzenesulfinic acid,4-methyl-, methyl ester, [S(S)]-

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4-甲磺酰基联苯

1,1'-Biphenyl,4-(methylsulfonyl)-

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Benzene, 1,2-dimethyl-4-(methylsulfonyl)-

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Benzene, 1,1'-sulfonylbis[3,5-dimethyl-

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1-Methyl-3-(methylsulfonyl)benzene

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名称和标识符

MDL	MFCD00014742
InChIKey	YYDNBUBMBZRNQQ-UHFFFAOYSA-N
Inchi	1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C
BRN	607296

别名信息

- 中文别名 -

对甲砜基甲苯
甲基对甲苯砜
1-甲基-4-(甲基磺酰基)苯
对甲砜甲苯
甲砜甲苯

对甲砜甲酯
甲基对甲苯磺酰基砜
4-甲砜基甲苯
Methyl p-Tolyl Sulfone 甲基对甲苯砜
对甲苯基甲基砜
对甲砜基***
对甲基苯甲砜
4-(甲磺酰)甲苯
对甲砜
对甲砜基甲苯甲基对甲苯砜

- 英文别名 -

1-Methyl-4-(methylsulfonyl)benzene
1-methyl-4-(methylsulfonyl)-benzene
4-METHANESULFONYLTOLUENE
4-(METHYLSULFONYL)TOLUENE
4-METHYLSULPHONYLTOLUENE

METHYL P-TOLYL SULFONE
METHYL P-TOLYL SULPHONE
P-METHYL SULFONYL TOLUENE
p-(methylsulphonyl)toluene
1-Methansulfonyl-4-methylbenzen
1-Methansulfonyl-4-methylbenzene
1-Methyl-4-(methyl-sulphonyl)benzene
Benzene,1-methyl-4-(methylsulfonyl)-
Methyl 4-tolyl sulfone
p-Tolyl methyl sulfone
Sulfone, methyl p-tolyl
p-methyl sulfone toluene
4-Tolylmethylsulfone
4-Toluene Methyl Sulfone
1-methyl-4-methylsulfonylbenzene
4-Methylsulfonyltoluene
Methyl 4-methylphenyl sulfone
1-Methanesulfonyl-4-methyl-benzene
4-(methylsulphonyl)toluene
Benzene,1-methyl-4-(methylsulfonyl)
methyl-(4-methylphenyl)sulphone
p-Me(C6H4)SO2Me
tosyl chloride
4-(Methylsulfonyl)toluene
1-Methyl-4-(methylsulfonyl)-benzene
p-(Methylsulphonyl)toluene
3185-99-7
Methyl p-tolyl sulphone
CCG-49782
HMS1527I11
EN300-295475
59203-01-9
SY002922
SR-01000639213-1
4-methanesulfonyl-1-methyl-benzene
Ts-Me
J-521718
BRD-K92730216-001-01-4
AE-095/31500059
METHYL 4-TOLYLSULFONE
NSC2722
(p-Tolylsulfonyl)methane
AC-18789
W-106873
EINECS 221-682-8
MFCD00014742
UNII-TG77SM513A
FS-1023
NS00029185
Benzene, 1-methyl-4-(methylsulfonyl)-
P-METHYLSULFONYLTOLUENE
Maybridge4_002299
CHEMBL1088935
FT-0628801
InChI=1/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H
methyl-p-toluene sulfonate
p-(methylsulfonyl)toluene
D70958
NCGC00176705-01
Methyl (S)-p-toluenesulfinate
M0842
NSC-2722
p-tolylmethylsulphone
NSC29038
CS-0117038
4-methylsulfonyltoluene
TG77SM513A
2-Benzoxazolemethanaminehydrochloride
1-methyl-4-methylsulfonyl-benzene
Methyl p-Tolyl Sulfone
DTXSID6075229
4-(Methylsulfonyl)toluene, 97%
SCHEMBL12807
Methyl p-tolylsulfone
Methyl p-tolyl sulfone
1-Methyl-4-(methylsulfonyl)benzene #
NSC-29038
NSC 2722
NSC 29038
Methylp-TolylSulfone
SCHEMBL9541106
AKOS000352549
1-methanesulfonyl-4-methylbenzene
FT-0695828
Q27289950
4-METHYLPHENYL METHYL SULFONE
A821032
Methyl p-Tolyl Sulfone,98%

物化性质

实验特性

LogP	2.47930
PSA	42.52000
折射率	1.5320 (estimate)
沸点	140°C/3mmHg(lit.)
熔点	86.0 to 89.0 deg-C
闪点	173.4℃
颜色与性状	白色或米黄色粉状结晶
溶解性	不溶于水，溶于醇、醚等有机溶剂。
密度	1.2238 (rough estimate)

计算特性

精确分子量	170.04000
氢键供体数量	0
氢键受体数量	2
可旋转化学键数量	1
同位素质量	170.04
重原子数量	11
复杂度	205
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）	无
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	42.5A^2

安全信息

符号：	GHS05 GHS07
WGK Germany	1
安全术语	S26;S36
安全说明	S26-S36
风险术语	R22; R37/38; R41
危险品标志	Xn
危险品运输编号	NONH for all modes of transport
危害声明	H302-H315-H318-H335
警示性声明	P261-P280-P305+P351+P338
储存条件	Store at room temperature
危险类别码	22-37/38-41
信号词	Danger
HazardClass	IRRITANT

国际标准相关数据

EINECS	221-682-8

海关数据

海关编码	2904100000
海关数据	中国海关编码： 2904100000 概述： 2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0% 申报要素：品名, 成分含量, 用途 Summary： 2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

海关编码

2904100000

海关数据

中国海关编码：

2904100000

概述：

2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

生产方法和用途

用途	用作医药中间体。

相关文献

1. Use of zeolites for greener and more para-selective electrophilic aromatic substitution reactions
Keith Smith,Gamal A. El-Hiti Green Chem. 2011 13 1579
2. The first zinc-catalyzed oxidation of sulfides to sulfones using H2O2 as green oxidant
Jian-Bo Feng,Jin-Long Gong,Xiao-Feng Wu RSC Adv. 2014 4 29273
3. Friedel–Crafts sulfonylation of aromatics catalysed by solid acids: An eco-friendly route for sulfone synthesis
Boyapati M. Choudary,N. Sreenivasa Chowdari,M. Lakshmi Kantam J. Chem. Soc. Perkin Trans. 1 2000 2689
4. Efficient and convenient oxidation of sulfides to sulfones using H2O2 catalyzed by V2O5 in ionic liquid [C12mim][HSO4]
Yu-Lin Hu,Xiao-Bing Liu,Dong Fang Catal. Sci. Technol. 2014 4 38
5. β-Hydroxysulfoxides as chiral cyclic ketone equivalents: enantioselective synthesis of polysubstituted cyclohexanones, cyclohexenones and cyclohexenediones
M. Carmen Carre?o,Manuel Pérez-González,María Ribagorda,álvaro Somoza,Antonio Urbano Chem. Commun. 2002 3052
6. Controlled degradation of low-fouling poly(oligo(ethylene glycol)methyl ether methacrylate) hydrogels
Muhammad?M. Shoaib,Vincent Huynh,Yousuf Shad,Rashik Ahmed,Alexander H. Jesmer,Giuseppe Melacini,Ryan G. Wylie RSC Adv. 2019 9 18978
7. Enantioselective copper catalysed intramolecular C–H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent
Amy E. Shiely,Catherine N. Slattery,Alan Ford,Kevin S. Eccles,Simon E. Lawrence,Anita R. Maguire Org. Biomol. Chem. 2017 15 2609
8. Cooperativity and steric hindrance: important factors in the binding of α-cyclodextrin with para-substituted aryl alkyl sulfides, sulfoxides and sulfones
D. Martin Davies,Michael E. Deary J. Chem. Soc. Perkin Trans. 2 1995 1287
9. Cooperativity and steric hindrance: important factors in the binding of α-cyclodextrin with para-substituted aryl alkyl sulfides, sulfoxides and sulfones
D. Martin Davies,Michael E. Deary J. Chem. Soc. Perkin Trans. 2 1995 1287
10. An investigation by means of correlation analysis into the mechanisms of oxidation of aryl methyl sulfides and sulfoxides by dimethyldioxirane in various solvents
Peter Hanson,Ramon A. A. J. Hendrickx,John R. Lindsay Smith Org. Biomol. Chem. 2008 6 745

专业数据库参考

PubChemId	18521

参考资料

Reaxys RN	607296
Beilstein	M158446

对甲砜基甲苯 | 3185-99-7

中国海关编码：

概述：

申报要素：

Summary：

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