2-(Chloromethyl)benzoyl chloride

• CAS: 42908-86-1
• Catalog Number: ACM42908861
• Category: Other Products
• Molecular Weight: 189.04
• Molecular Formula: C₈H₆Cl₂O
• Synonyms: O-(CHLOROMETHYL)BENZOYL CHLORIDE;2-(Chloromethyl)benzoyl chloride;2-(Chloromethyl)benzoic acid chloride;α-Chloro-o-toluoyl chloride
• Hazard Statements: T
• Safety Description: 26-36/37/39-45
• Supplemental Hazard Statements: H302-H314-H331-H351
• Symbol: GHS05,GHS06,GHS08

Custom Q&A

What is the PubChem CID for 2-(Chloromethyl)benzoyl chloride?

PubChem CID 3016395

What is the molecular formula of 2-(Chloromethyl)benzoyl chloride?

The molecular formula is C8H6Cl2O.

What is the molecular weight of 2-(Chloromethyl)benzoyl chloride?

The molecular weight is 189.04 g/mol.

What are some synonyms for 2-(Chloromethyl)benzoyl chloride?

Some synonyms include BENZOYL CHLORIDE, 2-(CHLOROMETHYL)- and O-(CHLOROMETHYL)BENZOYL CHLORIDE.

What is the InChIKey for 2-(Chloromethyl)benzoyl chloride?

The InChIKey is TXZFBHYDQGYOIT-UHFFFAOYSA-N.

What is the XLogP3-AA value for 2-(Chloromethyl)benzoyl chloride?

The XLogP3-AA value is 2.8.

How many hydrogen bond acceptors does 2-(Chloromethyl)benzoyl chloride have?

It has 1 hydrogen bond acceptor.

What is the topological polar surface area of 2-(Chloromethyl)benzoyl chloride?

The topological polar surface area is 17.1 Ų.

How many rotatable bond counts does 2-(Chloromethyl)benzoyl chloride have?

It has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 933-88-0

• 42908-86-1

Reference: [1]Russian Chemical Bulletin,2018,vol. 67,p. 1492 - 1499
Izv. Akad. Nauk, Ser. Khim.,2018,p. 1492 - 1499,8
[2]Russian Chemical Bulletin,2019,vol. 68,p. 588 - 596
Izv. Akad. Nauk, Ser. Khim.,2019,p. 588 - 596,9
[3]Journal of the Chemical Society,1926,p. 1262
[4]Chemiker-Zeitung, Chemische Apparatur,1901,vol. 25,p. 793

Downstream Synthesis Route 1

• 42908-86-1

• 85888-81-9

Reference: [1] Journal of the Chemical Society, 1959, p. 610,612

Downstream Synthesis Route 2

• 42908-86-1

• 85888-81-9

Reference: [1]Journal of the Chemical Society,1959,p. 610,612

Downstream Synthesis Route 3

• 42908-86-1
• 109-46-6

• 57722-82-4

Reference: [1]Fujita; Sato
[Chemical and Pharmaceutical Bulletin, 1975, vol. 23, # 8, p. 1764 - 1774]

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