2,4,6-Trimethylbenzoyl chloride - ≥98% , CAS No.938-18-1

CAS: 938-18-1 Cat. No.: T109955 Peso molecular: 182.65 Beilstein Registry Number: 9(4)1858 Número EC: 213-339-6 PubChem CID: 97038

GRADE & PURITY ≥98%

Synonyms

EC 213-339-6 | NSC97606 | NSC-97606 | InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H | Benzoyl chloride, 2,4,6-trimethyl- | 2,4,6-Trimethylbenzoyl chloride, 97% | 2,4,6-trimethylbenzoylchloride | 9GTX8DB3BP | Benzoyl chloride,4,6-trimethyl- |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EC 213-339-6 | NSC97606 | NSC-97606 | InChI=1/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H, 1-3H | Benzoyl chloride, 2, 4, 6-trimethyl- | 2, 4, 6-Trimethylbenzoyl chloride, 97% | 2, 4, 6-trimethylbenzoylchloride | 9GTX8DB3BP | Benzoyl chloride, 4, 6-trimethyl- |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C(=C1)C)C(=O)Cl)C
• IUPAC Name: 2,4,6-trimethylbenzoyl chloride
• InChIKey: UKRQMDIFLKHCRO-UHFFFAOYSA-N
• INCHI: 1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
• Isómeros SMILES: CC1=CC(=C(C(=C1)C)C(=O)Cl)C
• WGK Alemania: 3
• PubChem CID: 97038
• Número ONU: 3265
• Peso molecular: 182.65
• Beilstein: 9(4)1858
• Reaxy-Rn: 776108

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Acyl chlorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Reacts slowly with water.
• Sensibilidad: Hygroscopic
• Índice de refracción: n20/D 1.529
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 143°C/60mmHg
• Peso molecular: 182.640 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 182.05 Da
• Monoisotopic Mass: 182.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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

Referencias

1. Lin Huang, Wantao Wang, Yiwen Xian, Lei Liu, Jinghao Fan, Hongmei Liu, Zhaomin Zheng, Decheng Wu.  (2023)  Rapidly in situ forming an injectable Chitosan/PEG hydrogel for intervertebral disc repair.  Materials Today Bio,      [PMID:37576872] [10.1016/j.mtbio.2023.100752]

2. Yuandou Wang, Shuxin Wang, Wenju Hu, Feng Su, Fusheng Liu, Suming Li.  (2022)  In situ photo-crosslinked hydrogels prepared from acrylated 4-arm-poly(ethylene glycol)-poly(ε-caprolactone) block copolymers for local cancer therapy.  POLYMERS FOR ADVANCED TECHNOLOGIES,  33  (8): (2620-2631).  [PMID:] [10.1002/pat.5718]

3. Qihang Wei, Yixi Li, Jingran Bi, Shuang Cong, Gongliang Zhang, Hongman Hou, Lin Zhou.  (2025)  Photo-crosslinking chitosan-based antibacterial hydrogel pad: Long-term releasing of ε-polylysine and application in salmon preservation.  Journal of Future Foods,      [PMID:] [10.1016/j.jfutfo.2025.09.029]

4. Haoyang Ding, Jiaxiang Li, Zhen Chen, Xiangchuan Xu, Lili Hao, Lingyun Sun, Zhongwei Gu, Hongli Mao.  (2026)  Stem Cell-Laden Magnetic Hydrogels for Liver Fibrosis Reversal via Synergistic Magneto-Mechanical Stimulation.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202518708]