3-甲基-6-氨基苯磺酸 | 88-44-8
中文名称:
3-甲基-6-氨基苯磺酸
英文名称:
2-Amino-5-methylbenzene-1-sulfonic Acid
CAS No.:
88-44-8
分子式:
C7 H9 NO3 S
分子量:
187.216260671616
名称和标识符
MDL
MFCD00007908
InChIKey
LTPSRQRIPCVMKQ-UHFFFAOYSA-N
Inchi
1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
SMILES
O=S(C1C(N)=CC=C(C)C=1)(O)=O
BRN
2211509
别名信息
- 中文别名 -
3-甲基-6-氨基苯磺酸
4B酸
4-氨基甲苯-3-磺酸
2-氨基-5-甲基苯磺酸
对甲苯胺间磺酸
对甲苯胺-2-磺酸
2-氨基-5-甲基-苯磺酸
4-Aminotoluene-3-sulfonicacid,certified 标准品
p-Toluidine-2-sulfonic Acid 对甲苯胺-2-磺酸
4B酸,对甲苯胺-2-磺酸,6-氨基间甲苯磺酸
4-甲基苯胺-2-磺酸
6-氨基间甲苯磺酸
6-氨基-间甲苯磺酸
- 英文别名 -
2-Amino-5-methylbenzenesulfonic acid
4-aminotoluene-3-sulphonic acid
4B acid
p-Toluidine-2-sulfonic Acid
4-Aminotoluene-3-sulfonic acid
3-Methyl-6-aminobenzenesulfonic acid
6-Amino-m-Toluenesulfonic Acid
4-Methylaniline-2-sulfonic Acid
Ptmsptmsa
Benzenesulfonic acid, 2-amino-5-methyl-
PTMSA
PTMS
P-TOLUIDINE-M-SULFONIC ACID
Red 4B acid
m-Toluenesulfonic acid, 6-amino-
Kyselina 4-toluidin-3-sulfonova
2-amino-5-methylbenzene-1-sulfonic acid
6-Amino-m-toluenesulfonic acid (SO3H=1)
6-Amino-meta-toluenesulfonic acid (SO3H=1)
FT-0653064
NCGC00259803-01
NCGC00164090-01
CCRIS 2772
Kyselina 4-toluidin-3-sulfonova [Czech]
6-Amino-m-toluenesulfonic acid
FF86IBK68Z
6-Amino-meta-toluenesulfonic acid [SO3H=1]
A0328
NSC-7544
SCHEMBL153905
EC 201-831-3
2-amino-5-methyl-benzenesulfonic acid
4-Methylaniline-2-sulfonic acid
NSC7544
DTXSID7026526
Q27277954
4-METHYL-2-SULFOANILINE
EN300-122623
EINECS 201-831-3
UNII-FF86IBK68Z
NCGC00164090-02
W-100404
2-amino-5-methylbenzene-1-sulphonic acid
MFCD00007908
6-Amino-m-toluenesulfonic acid [SO3H=1]
STR10464
NSC 7544
2-amino-5-methylbenzenesulphonic acid
6-Amino-m-toluensulfonic acid
AMINO-5-METHYLBENZENESULFONIC ACID, 2-
Tox21_202254
CS-W016854
88-44-8
AE-562/43461529
3-14-00-02213 (Beilstein Handbook Reference)
2-amino-5-methyl-benzenesulphonic acid
NCGC00257108-01
CAS-88-44-8
4-Aminotoluene-3-sulfonicacid
2-amino-5-methyl-benzene sulfonic acid
4-amino-1-methylbenzene-3-sulfonic acid
AKOS015854800
Tox21_303178
4-Aminotoluene-3-sulfonic acid, 99%
4-Aminotoluene-3-sulphonic acid
2-Amino-5-methyl-1-benzenesulfonic acid
2-AMINO-5-METHYLBENZENE SULFONIC ACID
BRN 2211509
DTXCID606526
LS-154157
AI3-52551
1-amino-4-methylbenzene-2-sulfonic acid
InChI=1/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11
CHEMBL2143677
WLN: ZR B1 ESWQ
2-Amino-5-methylbenzenesulfonic Acid
4-Aminotoluene-3-sulfonic Acid
2-Amino-5-methylbenzene-1-sulfonic Acid
2-Amino-5-methylbenzenesulfonic acid (ACI)
m-Toluenesulfonic acid, 6-amino- (6CI, 7CI, 8CI)
1-Amino-4-methylbenzene-2-sulfonic acid
4-Amino-1-methylbenzene-3-sulfonic acid
4-Methyl-2-sulfoaniline
4B Acid
p-Toluidine-2-sulfonic acid
p-Toluidine-m-sulfonic acid
物化性质
实验特性
LogP
2.48590
PSA
88.77000
折射率
1.6100 (estimate)
沸点
500°C (rough estimate)
熔点
300 ºC
溶解度
water: soluble6g/L at 20°C
颜色与性状
白色结晶
溶解性
130℃时遇水分解,在20℃时溶于214份水,水溶液中加入二氧化铅呈红色。有腐蚀性。
密度
1.431
计算特性
精确分子量
187.03000
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
1
同位素质量
187.030314
重原子数量
12
复杂度
244
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)
0.9
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
88.8
海关数据
海关编码
2921430090
海关数据
中国海关编码:
2921430090
概述:
2921430090 甲苯胺及其衍生物以及它们的盐. 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:30.0%
申报要素:
品名, 成分含量, 用途, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
Summary:
HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
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参考资料
Reaxys RN
2211509
Beilstein
14,723
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