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2,5-Diaminotoluene sulfate - 98%, high purity , CAS No.615-50-9
Basic Description
Synonyms
2-Methyl-p-phenylenediamine sulfate | CI Oxidation Base 4 | 2,5-Diaminotoluene sulphate | Q27270862 | p-Tolylenediamine sulfate | 8PSD05SPE2 | UNII-8PSD05SPE2 | Toluene-2,5-diamine sulfate | 2-Methyl-1,4-benzenediamine sulfate | 2-Methyl-p-phenylenediamin
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Aminotoluenes
Direct Parent
Diaminotoluenes
Alternative Parents
Aniline and substituted anilines Organic sulfuric acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diaminotoluene - Aniline or substituted anilines - Sulfuric acid - Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504753102
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753102
IUPAC Name
2-methylbenzene-1,4-diamine;sulfuric acid
INCHI
InChI=1S/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)
InChIKey
KZTWOUOZKZQDMN-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O
Isomeric SMILES
CC1=C(C=CC(=C1)N)N.OS(=O)(=O)O
WGK Germany
3
RTECS
XT0525000
Molecular Weight
220.25
Beilstein
3755478
Reaxy-Rn
3755478
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3755478&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water
Melt Point(°C)
>300°C
Molecular Weight
220.250 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
220.052 Da
Monoisotopic Mass
220.052 Da
Topological Polar Surface Area
135.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
174.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Wang Chunyan, Huang Gengli, Luo Xueli, Tang Wenzhi, Yue Tianli, Li Zhonghong.
(2022)
Construction of ratiometric fluorescence sensor and test strip with smartphone based on dual-emission carbon dots for the specific detection of chlortetracycline.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY,
414
(28):
(8143-8154).
2.
Xiaoping Yue, Feiyang Xu, Linrong Zhang, Guozhang Ren, Huixiang Sheng, Jin Wang, Kaili Wang, Liuyingzi Yu, Junjie Wang, Gongqiang Li, Gang Lu, Hai-Dong Yu.
(2022)
Simple, Skin-Attachable, and Multifunctional Colorimetric Sweat Sensor.
ACS Sensors,
7
(8):
(2198–2208).
3.
Shuai Li, Tianxiang Yang, Wenlian Wang, Jing Lu, Xiaoyang Zhao, Weizhen Fan, Xiaoxi Zuo, Junmin Nan.
(2020)
2-Thiophene sulfonamide (2-TS)-contained multi-functional electrolyte matching high-voltage LiNi0.8Mn0.1Co0.1O2/graphite batteries with enhanced performances.
ELECTROCHIMICA ACTA,
352
(136492).
4.
Ying Liu, Jiming Chen, Yaoheng Zhang, Sheng Gao, Zaijun Lu, Qingbin Xue.
(2017)
Highly thermal conductive benzoxazine-epoxy interpenetrating polymer networks containing liquid crystalline structures.
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS,
55
(24):
(1813-1821).
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