2,6-Dimethylaniline - ≥99% , CAS No.87-62-7

CAS: 87-62-7 Cat. No.: D105633 Molecular Weight: 121.18 Beilstein Registry Number: 121107 EC Number: 201-758-7

GRADE & PURITY ≥99%

Synonyms

EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimethylphenyl)amine | (2,6-dimethyl-phenyl)-amine | D0669 | 2,6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2,6-dimethyl- | Aniline,6-d

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

EC 201-758-7 | 1092805-08-7 | 2, 6-Dimethylaniline | 2, 6-Dimethyl-aniline | CAS-87-62-7 | (2, 6-dimethylphenyl)amine | (2, 6-dimethyl-phenyl)-amine | D0669 | 2, 6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2, 6-dimethyl- | Aniline, 6-d

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180194
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180194
• Canonical Smiles: CC1=C(C(=CC=C1)C)N
• IUPAC Name: 2,6-dimethylaniline
• InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
• Isomeric SMILES: CC1=C(C(=CC=C1)C)N
• WGK Germany: 2
• RTECS: ZE9275000
• UN Number: 1711
• Packing Group: II
• Molecular Weight: 121.18
• Beilstein: 121107
• Reaxy-Rn: 636332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636332&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)

Salmonella typhimurium (15756 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: Slightly miscible with water. Miscible with ethanol and diethyl ether.
• Sensitivity: Light & Air Sensitive
• Freezing Point(°C): 10 °C
• Refractive Index: 1.56
• Flash Point(°F): 195.8 °F
• Flash Point(°C): 91 °C
• Boil Point(°C): 214°C
• Melt Point(°C): 10-12°C
• Molecular Weight: 121.180 g/mol
• XLogP3: 1.800
• 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: 80.600
• 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. Wenxiang Zhang, Zhongquan Peng, Xi Zhang, Qiwei Pan, Shumei Liu, Bo Cao, Jianqing Zhao.  (2022)  Soluble Liquid Crystalline Poly(ester imide)s with High Glass Transition Temperatures and Improved Dielectric Properties.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.2c00211]

2. Ruijuan Duan, Meiling Qi.  (2022)  Separation performance of pentiptycene-functionalized triblock copolymers towards the isomers of xylenes, phenols and anilines and the complex components in essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35278809] [10.1016/j.chroma.2022.462927]

3. Ning Liu, NiNa Qiao, Feng-Shou Liu, ShaoHua Wang, Ying Liang.  (2020)  Bulky α-diimine palladium complexes supported graphene oxide as heterogeneous catalysts for Suzuki-Miyaura reaction.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2020.128537]

4. 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]

5. Zhang Yinchenxi, Duan Yixiang.  (2019)  A double-functionalized polymeric ionic liquid used as solid-phase microextraction coating for efficient aromatic amine extraction and detection with gas chromatography–mass spectrometry.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  411  (10): (2209-2221).  [PMID:30879115] [10.1007/s00216-019-01664-x]

6. Yue-Hong Yang, Lan-Tao Liu, Mei-Jun Chen, Song Liu, Cheng-Bin Gong, Yu-Bo Wei, Cheuk-Fai Chow, Qian Tang.  (2018)  A photoresponsive surface molecularly imprinted polymer shell for determination of trace griseofulvin in milk.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:30184762] [10.1016/j.msec.2018.06.069]

7. Tianyun Li, Huahua Huang, Lei Wang, Yongming Chen.  (2017)  High performance polyimides with good solubility and optical transparency formed by the introduction of alkyl and naphthalene groups into diamine monomers.  RSC Advances,  7  (65): (40996-41003).  [PMID:] [10.1039/C7RA07142F]

8. Cheng-Bin Gong, Yu-Bo Wei, Lan-Tao Liu, An-Xun Zheng, Yue-Hong Yang, Cheuk-fai Chow, Qian Tang.  (2017)  Photoresponsive hollow molecularly imprinted polymer for trace triamterene in biological samples.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:28482565] [10.1016/j.msec.2017.03.135]

9. Xuexin Yuan, Qiqi Zhou, Yu Chen, Hai-Jian Yang, Qingqing Jiang, Juncheng Hu, Cun-Yue Guo.  (2024)  Photocatalytic N-Formylation of CO2 with Amines Catalyzed by Diethyltriamine Pentaacetic Acid.  C-Journal of Carbon Research,  10  (3): (62).  [PMID:] [10.3390/c10030062]

10. Minghao Zhang, Yue Bai, Zhuo Wang, Xiong Gao, Weijie Zhang, Jing Li, Weixiang Wu, Huacong Zhou, Qingqing Mei.  (2024)  Targeted valorization of waste polycarbonate into bisphenol A dimethyl ether.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156914]

11. Li Yang, Bolin Yu, Jie Yuan, Rongrong Xing, Runqin Wang, Xuan Chen, Shuang Hu.  (2024)  Trioctylphosphine oxide-based hydrophobic magnetic deep eutectic solvent as a novel extractant for the enrichment of primary aromatic amines from juice and environmental water.  TALANTA,      [PMID:38823328] [10.1016/j.talanta.2024.126338]

12. Ying-Jie Zhang, Jia-Shu Tao, Han-Qing Yu.  (2025)  Optimizing Compatibility between Oxidants and Catalysts for Heterogeneous Catalytic Water Purification.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40478477] [10.1021/acs.est.5c05273]