2-甲苯磺酰胺 | 88-19-7
中文名称:
2-甲苯磺酰胺
英文名称:
O-Toluenesulfonamide
CAS No.:
88-19-7
分子式:
C7 H9 NO2 S
分子量:
171.216860532761
名称和标识符
MDL
MFCD00007934
InChIKey
YCMLQMDWSXFTIF-UHFFFAOYSA-N
Inchi
1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
SMILES
O=S(C1C(C)=CC=CC=1)(N)=O
BRN
1102362
别名信息
- 中文别名 -
2-甲苯磺酰胺
邻甲苯磺酰胺
邻甲苯磺胺
邻甲基苯磺胺
2-甲基苯磺酰胺
邻甲苯磺酰胺 USP标准品
邻氯对硝基苯胺
甲苯-2-磺酰胺
- 英文别名 -
2-Methylbenzenesulfonamide
o-Toluenesulphonamide
2-Methylbenzene-1-sulfonamide
2-Toluene Suldonamide
ORTHO TOLUENE SULFONAMIDE
O-TOLUENE SULFONAMIDE
P-TOLUENE SULFONAMIDE
OTSA
o-Methylbenzenesulfonamide
o-Toluenesulfonamide
2-Toluenesulfonamide
Benzenesulfonamide, 2-methyl-
Toluene-2-sulfonamide
Toluene-2-sulphonamide
ortho-Toluenesulfonamide
Ketjenflex 9
2-Tolylsulfonamide
Santicizer 9
Ketjenflex 9S
Ortho-toluol-sulfonamid
ortho-Toluenesulphonamide
2(or 4)-Toluenesulfonamide
o-(Or p)-toluenesulphonamide
ortho-Toluol-sulfonamid [German]
2(or 4)-Methylbenzenes
EINECS 232-394-7
2-methylbenzene-1-sulfonamide
T0280
BRN 1102362
TOLUENESULFONAMIDE, O-
R81Z6V889P
AI3-23216
Uniplex 171 (Salt/Mix)
SCHEMBL7369
o-Toluenesulfonamide, United States Pharmacopeia (USP) Reference Standard
Ortho Tolune Sulphonamide,(S)
AKOS000119649
DTXSID7021362
o-Toluenesulfonamide, Pharmaceutical Secondary Standard
Certified Reference Material
UNII-R81Z6V889P
HSDB 5256
o-toluene sulfonamide
EN300-18329
2-toluenesulphonamide
SY048993
methyl-benzenesulphonamide
8013-74-9
CS-W010774
Q27287945
SPR_3
CCRIS 8900
LS-7728
EINECS 201-808-8
MFCD00007934
FT-0651648
2-Methylbenzene-1-sulphonamide
2-methylbenzene-sulfonamide
AMY37132
W-109319
Benzenesulfonamide, ar-methyl-
Z57902803
BDBM35999
NSC-2185
O-TOLUENESULFONAMIDE [USP-RS]
AE-562/40299836
4-11-00-00229 (Beilstein Handbook Reference)
2-methylbenzene sulphonamide
o-Toluenesulfonamide, 99%
88-19-7
o-tolylsulfonamide
NSC 2185
NCGC00255267-01
CHEMBL176892
STR03407
A806591
Benzenesulfonamide, 2(or 4)-methyl-
DTXCID301362
PD055397
STK325715
toluene sulfonamide
CAS-88-19-7
O-TOLUENESULFONAMIDE [HSDB]
TOLUENESULFONAMIDE
NSC2185
2-methyl-benzenesulphonamide
EC 201-808-8
OTS amide
LS-31635
O-TOLUENESULFONAMIDE
1333-07-9
IEJ
InChI=1/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10
toluen-2-sulfonamid
WLN: ZSWR B1
TS-02327
FT-0659866
E70309
Tox21_301641
2(or 4)-Methylbenzenesulfonamide
2-Methylbenzenesulfonamide (ACI)
o-Toluenesulfonamide (7CI, 8CI)
2-Methylbenzenesulfonimidic acid
2-Methylphenylsulfonamide
o-Toluenesulfamide
物化性质
实验特性
LogP
2.42350
PSA
68.54000
折射率
1.6100 (estimate)
水溶性
Soluble in water (1.6 g/L at 25°C).
沸点
221 °C
熔点
156-158 °C (lit.)
闪点
178°C
颜色与性状
无色或白色八面体结晶。
溶解性
溶于乙醇,微溶于水和乙醚。
密度
1.2495 (rough estimate)
计算特性
精确分子量
171.03500
氢键供体数量
1
氢键受体数量
3
可旋转化学键数量
1
同位素质量
171.035
重原子数量
11
复杂度
217
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)
0.8
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
68.5
海关数据
海关编码
2935009090
海关数据
中国海关编码:
2935009090
概述:
2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素:
品名, 成分含量, 用途
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
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参考资料
Reaxys RN
1102362
Beilstein
11(3)167
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