2,4-Dimethylaniline - ≥99% , CAS No.95-68-1

CAS: 95-68-1 Cat. No.: D105632 Molecular Weight: 121.18 Beilstein Registry Number: 636243 EC Number: 202-440-0

GRADE & PURITY ≥99%

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

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

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

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180354
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180354
• Canonical Smiles: CC1=CC(=C(C=C1)N)C
• IUPAC Name: 2,4-dimethylaniline
• InChIKey: CZZZABOKJQXEBO-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Xylenes

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

References

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,      [PMID:34717180] [10.1016/j.jconhyd.2021.103908]

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,      [PMID:] [10.1016/j.dyepig.2021.109343]

3. Xue Xiong, Meiling Qi.  (2019)  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,      [PMID:31668867] [10.1016/j.chroma.2019.460627]

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,      [PMID:] [10.1016/j.jphotochem.2019.111938]

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,      [PMID:21094387] [10.1016/j.aca.2010.10.004]

6. Jianjun Shu, Pengfei Xie, Danni Lin, Rongfeng Chen, Jiang Wang, Beibei Zhang, Mingming Liu, Hanlan Liu, Fan Liu.  (2013)  Two highly stable and selective solid phase microextraction fibers coated with crown ether functionalized ionic liquids by different sol–gel reaction approaches.  ANALYTICA CHIMICA ACTA,      [PMID:24331051] [10.1016/j.aca.2013.11.006]