o-Toluoyl chloride

CAS

933-88-0

Catalog Number

ACM933880

Category

Other Products

Molecular Weight

154.6

Molecular Formula

C8H7ClO

MSDS COA Spec Sheet

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What is the molecular formula of o-Toluoyl chloride?

The molecular formula of o-Toluoyl chloride is C8H7ClO.

What is the molecular weight of o-Toluoyl chloride?

The molecular weight of o-Toluoyl chloride is 154.59 g/mol.

What is the IUPAC name of o-Toluoyl chloride?

The IUPAC name of o-Toluoyl chloride is 2-methylbenzoyl chloride.

What is the InChI of o-Toluoyl chloride?

The InChI of o-Toluoyl chloride is InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3.

What is the InChIKey of o-Toluoyl chloride?

The InChIKey of o-Toluoyl chloride is GPZXFICWCMCQPF-UHFFFAOYSA-N.

What is the canonical SMILES of o-Toluoyl chloride?

The canonical SMILES of o-Toluoyl chloride is CC1=CC=CC=C1C(=O)Cl.

What is the CAS number of o-Toluoyl chloride?

The CAS number of o-Toluoyl chloride is 933-88-0.

What is the XLogP3 value of o-Toluoyl chloride?

The XLogP3 value of o-Toluoyl chloride is 3.4.

How many hydrogen bond donor count does o-Toluoyl chloride have?

o-Toluoyl chloride has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does o-Toluoyl chloride have?

o-Toluoyl chloride has 1 hydrogen bond acceptor count.

Downstream Synthesis Route 1

933-88-0
18107-18-1

51012-65-8

Reference: [1] Patent: US2011/311458, 2011, A1,

Downstream Synthesis Route 2

933-88-0

51012-65-8

Reference: [1] Journal of the Chemical Society, 1935, p. 997,999
[2] Journal of the Chemical Society, 1938, p. 445,447

Downstream Synthesis Route 3

933-88-0

874-60-2
1711-06-4

Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1989, vol. 25, # 11.2, p. 2139 - 2141[2] Zhurnal Organicheskoi Khimii, 1989, vol. 25, # 11, p. 2372 - 2374

Downstream Synthesis Route 4

141-97-9
933-88-0

51725-82-7

Reference: [1]Journal of Agricultural and Food Chemistry,2005,vol. 53,p. 9566 - 9570
[2]Chemische Berichte,1935,vol. 68,p. 227,230

Downstream Synthesis Route 5

933-88-0
999-75-7

2040-14-4

Reference: [1]Justus Liebigs Annalen der Chemie,1889,vol. 250,p. 378
[2]Chemical and pharmaceutical bulletin,1984,vol. 32,p. 3100 - 3104
[3]Tetrahedron,2013,vol. 69,p. 7019 - 7025
[4]Tetrahedron Letters,2015,vol. 56,p. 851 - 855
[5]Angewandte Chemie - International Edition,2020,vol. 59,p. 5371 - 5375
Angew. Chem.,2020,vol. 132,p. 5409 - 5413,5

Downstream Synthesis Route 6

50-32-8
933-88-0

101298-29-7

Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1921,vol. <2> 103,p. 396
Journal fuer Praktische Chemie (Leipzig),1924,vol. <2> 108,p. 276

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