m-Toluoyl chloride - ≥99% , CAS No.1711-06-4

CAS: 1711-06-4 Cat. No.: T101293 Molecular Weight: 154.59 Beilstein Registry Number: 9477 EC Number: 216-976-8 PubChem CID: 74375

GRADE & PURITY ≥99%

Synonyms

3-methylbenzoic acid chloride | Cortisol 21-hemisuccinate | BAA71106 | 3-Toluoyl chloride | MFCD00000681 | W2VJW4350K | 3-Methylbenzoyl chloride | 3-Methyl-Benzoyl Chloride | D78225 | m-toluenecarbonyl chloride | Toluoyl chloride | 3-toluoylchloride | 3-t

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Overview

m-Toluoyl chloride is an efficient derivatization reagent for amines

Specifications

Synonyms

3-methylbenzoic acid chloride | Cortisol 21-hemisuccinate | BAA71106 | 3-Toluoyl chloride | MFCD00000681 | W2VJW4350K | 3-Methylbenzoyl chloride | 3-Methyl-Benzoyl Chloride | D78225 | m-toluenecarbonyl chloride | Toluoyl chloride | 3-toluoylchloride | 3-t

Specifications & Purity

≥99%

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=CC=C1)C(=O)Cl
• IUPAC Name: 3-methylbenzoyl chloride
• InChIKey: YHOYYHYBFSYOSQ-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
• Isomeric SMILES: CC1=CC(=CC=C1)C(=O)Cl
• WGK Germany: 1
• RTECS: DM6644000
• PubChem CID: 74375
• UN Number: 3265
• Molecular Weight: 154.59
• Beilstein: 9477
• Reaxy-Rn: 878419

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Toluenes Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Toluene - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.5475-1.5495
• Flash Point(°F): 170.6 °F
• Flash Point(°C): 76°C
• Boil Point(°C): 86°C
• Melt Point(°C): -23 °C
• Molecular Weight: 154.590 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.019 Da
• Monoisotopic Mass: 154.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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: 1

References

1. Hui Yang, Guoming Yuan, Enxiang Jiao, Kunxin Wang, WenJie Diao, Zhao Li, ZhiJun Liu, Kun Wu, Jun Shi.  (2024)  Resveratrol-Derived Liquid Crystal Epoxy Resin with Low-Dielectric Properties and Excellent Mechanical Strength and Toughness.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c01565]

2. Jiaming Liu, Xiaohong Liu, Xiaohua Cui, Jingjing Qin, Mengqin Wu, Lifu Fu, Min Shi, Dingsong Wang, Liyan Liang.  (2023)  Investigation on the properties and structures of resveratrol-derived epoxy thermosets cured with an active ester.  Polymer Chemistry,  14  (14): (1665-1679).  [PMID:] [10.1039/D2PY01579J]

3. Tong Gong, Yan Jin, Hongmei Zhu, Zeying Cheng, Hong Fang, Ning Xu, Fanting Zhao, Yingqian Liu, Peng Chen.  (2026)  Repurposing dronedarone for colorectal cancer therapeutic via suppression of the AKT/ERK signaling pathways.  BIOCHEMICAL PHARMACOLOGY,      [PMID:41548816] [10.1016/j.bcp.2026.117715]