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2,4-Dimethylaniline - 99%, high purity , CAS No.95-68-1
Basic Description
Synonyms
3-(3-(2-(4-Chlorophenylsulfonamido)ethyl)-5-(4-fluorobenzyl)phenyl)propanoic acid | EC 202-440-0 | W-109655 | 4-Amino-1,3-xylene | NSC 7640 | STK387111 | 1071170-27-8 | 4-Amino-m-xylene | AI3-16558 | asym-m-xylidene | 2,4-Dimethylaniline, >=99% | 2,4-XYLI
Specifications & Purity
≥99%
Storage Temp
Protected from light
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
m-Xylenes
Alternative Parents
Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-xylene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
External Descriptors
primary arylamine - dimethylaniline
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180354
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180354
IUPAC Name
2,4-dimethylaniline
INCHI
InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
InChIKey
CZZZABOKJQXEBO-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)N)C
Isomeric SMILES
CC1=CC(=C(C=C1)N)C
WGK Germany
2
RTECS
ZE8925000
UN Number
1711
Packing Group
II
Molecular Weight
121.18
Beilstein
636243
Reaxy-Rn
636243
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636243&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Practically insoluble; Soluble in Benzene,Alcohol,Ether
Sensitivity
Light sensitive.
Refractive Index
1.558
Flash Point(°F)
208.4 °F
Flash Point(°C)
98 °C
Boil Point(°C)
218°C
Melt Point(°C)
-14.3°C
Molecular Weight
121.180 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
121.089 Da
Monoisotopic Mass
121.089 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
90.600
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
1
Citations of This Product
1.
Jia Li, Changfan He, Xingtao Cao, Hong Sui, Xingang Li, Lin He.
(2021)
Low temperature thermal desorption-chemical oxidation hybrid process for the remediation of organic contaminated model soil: A case study.
JOURNAL OF CONTAMINANT HYDROLOGY,
243
(103908).
2.
Mengke Jia, Haina Hu, Xiaoqing Xiong, Lihua Lyu, Hongjuan Zhao, Shubiao Zhang, Jun Hou.
(2021)
Investigation on the construction, photophysical properties and dyeing mechanism of 1,8-naphthalimide-based fluorescent dyes suitable for dyeing wool fibers in supercritical CO2.
DYES AND PIGMENTS,
190
(109343).
3.
Xue Xiong, Meiling Qi.
(2020)
Adenine-functionalized polypropylene glycol: A novel stationary phase for gas chromatography offering good inertness for acids and bases combined with a unique selectivity.
JOURNAL OF CHROMATOGRAPHY A,
1612
(460627).
4.
Jinxia Xu, Fanyong Yan, Xiaodong Sun, Zhaoxu Wang.
(2019)
Effect of electron-donating/withdrawing substituents on the fluorescence of aniline containing fluorescein Schiff base derivatives.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,
382
(111938).
5.
Mingming Liu, Xin Zhou, Yingyi Chen, Hanlan Liu, Xionghan Feng, Guohong Qiu, Fan Liu, Zhaorui Zeng.
(2010)
Innovative chemically bonded ionic liquids-based sol–gel coatings as highly porous, stable and selective stationary phases for solid phase microextraction.
ANALYTICA CHIMICA ACTA,
683
(96).
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