2-(Trifluoromethyl)benzyl chloride

• CAS: 21742-00-7
• Catalog Number: ACM21742007
• Category: Aryl
• Molecular Weight: 194.58
• Hazard Statements: H314
• RIDADR: UN 3448 6.1 / PGII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-(Trifluoromethyl)benzyl chloride?

The molecular formula is C8H6ClF3.

What is the molecular weight of 2-(Trifluoromethyl)benzyl chloride?

The molecular weight is 194.58 g/mol.

What is the IUPAC Name of 2-(Trifluoromethyl)benzyl chloride?

The IUPAC Name is 1-(chloromethyl)-2-(trifluoromethyl)benzene.

What is the InChI of 2-(Trifluoromethyl)benzyl chloride?

The InChI is InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2.

What is the InChIKey of 2-(Trifluoromethyl)benzyl chloride?

The InChIKey is BBXDMCQDLOCXRA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Trifluoromethyl)benzyl chloride?

The canonical SMILES is C1=CC=C(C(=C1)CCl)C(F)(F)F.

What is the CAS number of 2-(Trifluoromethyl)benzyl chloride?

The CAS number is 21742-00-7.

What is the European Community (EC) Number of 2-(Trifluoromethyl)benzyl chloride?

The European Community (EC) Number is 244-560-6.

What is the DSSTox Substance ID of 2-(Trifluoromethyl)benzyl chloride?

The DSSTox Substance ID is DTXSID20176135.

Is 2-(Trifluoromethyl)benzyl chloride a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 346-06-5

• 21742-00-7

Reference: [1] Patent: CN106588673, 2017, A, . Location in patent: Paragraph 0049; 0056; 0062

Upstream Synthesis Route 2

• 447-61-0

• 21742-00-7

Reference: [1] Patent: CN106588673, 2017, A,

Upstream Synthesis Route 3

• 433-97-6

• 21742-00-7

Reference: [1] Journal of medicinal chemistry, 1970, vol. 13, # 5, p. 820 - 826

Upstream Synthesis Route 4

• 346-06-5

• 21742-00-7

Reference: [1]Patent: CN106588673,2017,A .Location in patent: Paragraph 0049; 0056; 0062

Downstream Synthesis Route 1

• 21742-00-7
• 60-34-4

• 33384-81-5

Reference: [1]Journal of medicinal chemistry,1971,vol. 14,p. 1052 - 1054

Downstream Synthesis Route 2

• 21742-00-7
• 105-53-3

• 29805-53-6

Reference: [1]Journal of medicinal chemistry,1970,vol. 13,p. 820 - 826

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