2-Chlorobenzotrichloride

• CAS: 2136-89-2
• Catalog Number: ACM2136892
• Category: Aryl
• Molecular Weight: 229.92
• Molecular Formula: C₇H₄Cl₄
• Hazard Statements: H226-H317-H411
• RIDADR: UN 1993BF 3 / PGII
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 2-Chlorobenzotrichloride?

The molecular formula of 2-Chlorobenzotrichloride is C7H4Cl4.

What is the molecular weight of 2-Chlorobenzotrichloride?

The molecular weight of 2-Chlorobenzotrichloride is 229.9 g/mol.

What is the IUPAC name of 2-Chlorobenzotrichloride?

The IUPAC name of 2-Chlorobenzotrichloride is 1-chloro-2-(trichloromethyl)benzene.

What is the InChI of 2-Chlorobenzotrichloride?

The InChI of 2-Chlorobenzotrichloride is InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H.

What is the InChIKey of 2-Chlorobenzotrichloride?

The InChIKey of 2-Chlorobenzotrichloride is MFHPYLFZSCSNST-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chlorobenzotrichloride?

The canonical SMILES of 2-Chlorobenzotrichloride is C1=CC=C(C(=C1)C(Cl)(Cl)Cl)Cl.

What is the CAS number of 2-Chlorobenzotrichloride?

The CAS number of 2-Chlorobenzotrichloride is 2136-89-2.

What is the European Community (EC) number of 2-Chlorobenzotrichloride?

The European Community (EC) number of 2-Chlorobenzotrichloride is 218-377-7.

What is the hydrogen bond donor count of 2-Chlorobenzotrichloride?

The hydrogen bond donor count of 2-Chlorobenzotrichloride is 0.

Is 2-Chlorobenzotrichloride a canonicalized compound?

Yes, 2-Chlorobenzotrichloride is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 88-66-4

• 2136-89-2

Reference: [1] Synthesis, 1986, # 3, p. 224 - 226
[2] Patent: US4593144, 1986, A,

Upstream Synthesis Route 2

• 95-49-8

• 2136-89-2

Reference: [1] Chemische Berichte, 1893, vol. 26, p. 653
[2] Journal of the American Chemical Society, 1935, vol. 57, p. 2064,2065
[3] Patent: US2132361, 1935, ,
[4] Patent: FR798727, 1935, ,

Upstream Synthesis Route 3

• 95-49-8

• 2136-89-2

Reference: [1]Chemische Berichte,1893,vol. 26,p. 653
[2]Journal of the American Chemical Society,1935,vol. 57,p. 2064,2065
[3]Patent: US2132361,1935,
[4]Patent: CN110655449,2020,A .Location in patent: Paragraph 0015; 0020

Downstream Synthesis Route 1

• 2136-89-2
• 71-43-2

• 42074-68-0

Reference: [1] Archiv der Pharmazie, 2002, vol. 335, # 4, p. 159 - 166

Downstream Synthesis Route 2

• 106-44-5
• 2136-89-2

• 6280-45-1

Reference: [1]Journal of Organic Chemistry,1954,vol. 19,p. 996,1000

Downstream Synthesis Route 3

• 106-44-5
• 2136-89-2

• 6280-52-0

Reference: [1]Journal of Organic Chemistry,1954,vol. 19,p. 996,1000

* For details of the synthesis route, please refer to the original source to ensure accuracy.