4-Chloro-2-methylaniline - analytical standard , CAS No.95-69-2

CAS: 95-69-2 Cat. No.: C111298 Molecular Weight: 141.6 EC Number: 202-441-6

GRADE & PURITY Analytical standard

Synonyms

4-12-00-01796 (Beilstein Handbook Reference) | Benzenamine, 4-chloro-2-methyl- | NCGC00248193-01 | Azoic Diazo Component 11, base | Caswell No. 216H | EN300-19546 | 4-CHLORO-ORTHO-TOLUIDINE [IARC] | 4-Chloro-2-methylbenzenamine | FT-0611165 | 2-Methyl-4-c

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-12-00-01796 (Beilstein Handbook Reference) | Benzenamine, 4-chloro-2-methyl- | NCGC00248193-01 | Azoic Diazo Component 11, base | Caswell No. 216H | EN300-19546 | 4-CHLORO-ORTHO-TOLUIDINE [IARC] | 4-Chloro-2-methylbenzenamine | FT-0611165 | 2-Methyl-4-c

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 528760348
• Canonical Smiles: CC1=C(C=CC(=C1)Cl)N
• IUPAC Name: 4-chloro-2-methylaniline
• InChIKey: CXNVOWPRHWWCQR-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
• Isomeric SMILES: CC1=C(C=CC(=C1)Cl)N
• UN Number: 2239
• Packing Group: III
• Molecular Weight: 141.6
• Reaxy-Rn: 878505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878505&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
• External Descriptors: monochlorobenzenes

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

Chemical and Physical Properties

• Freezing Point(°C): 25 °C
• Refractive Index: 1.583
• Flash Point(°F): 255.2 °F - closed cup
• Flash Point(°C): 124 °C - closed cup
• Boil Point(°C): 241°C
• Melt Point(°C): 24-27°C
• Molecular Weight: 141.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.035 Da
• Monoisotopic Mass: 141.035 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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. Qianqian Lu, Liqiang Liu, Jinyan Li, Shanshan Song, Hua Kuang, Chuanlai Xu, Lingling Guo.  (2024)  Rapid and sensitive quantitation of amitraz in orange, tomato, and eggplant samples using immunochromatographic assay.  FOOD CHEMISTRY,      [PMID:38452506] [10.1016/j.foodchem.2024.138899]

2. Tu Hong, Tian Bihong, Chen Shunshun, Xu Jingyi, Yang Jianrong, Zhao Zhichao, Chen Shunhong, Wu Jian.  (2025)  Enhancing photocatalytic efficiency through surface modification to manipulate internal electron-hole distribution.  npj Clean Water,  8  (1): (1-10).  [PMID:] [10.1038/s41545-025-00480-4]