4-(Chloromethyl)benzonitrile

• CAS: 874-86-2
• Catalog Number: ACM874862
• Category: Other Products
• Molecular Weight: 151.59g/mol
• Molecular Formula: C8H6ClN
• IUPAC Name: 4-(chloromethyl)benzonitrile
• Canonical SMILES: C1=CC(=CC=C1CCl)C#N
• InChI: InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
• InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N
• Complexity: 139
• Covalently-Bonded Unit Count: 1
• EC Number: 212-869-5
• Exact Mass: 151.018877g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 151.018877g/mol
• NSC Number: 44855;6307
• Rotatable Bond Count: 1
• XLogP3: 2

Synthetic Use

Upstream Synthesis Route 1

• 1592-20-7

• 874-86-2

Reference: [1] Patent: CN107573259, 2018, A, . Location in patent: Paragraph 0133-0137

Upstream Synthesis Route 2

• 17201-43-3

• 874-86-2

Reference: [1] Synthesis, 2010, # 5, p. 882 - 891
[2] Journal of Organometallic Chemistry, 1987, vol. 329, p. 349 - 356

Upstream Synthesis Route 3

• 104-85-8

• 74231-65-5
• 874-86-2

Reference: [1]Tetrahedron Letters,1988,vol. 29,p. 5783 - 5786
[2]Journal of the American Chemical Society,1925,vol. 47,p. 2191
[3]Tetrahedron Letters,1988,vol. 29,p. 5783 - 5786

Downstream Synthesis Route 1

• 874-86-2

• 6068-72-0

Reference: [1] Journal of the Chemical Society, 1942, p. 103,107

Downstream Synthesis Route 2

• 97-53-0
• 874-86-2

• 865658-19-1

Reference: [1]Current Patent Assignee: Majert - DE82924
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 1275][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 1275]

Downstream Synthesis Route 3

• 64-17-5
• 151-50-8
• 874-86-2

• 876-31-3

Reference: [1]Chemische Berichte,1889,vol. 22,p. 3208

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