4-tert-Butylbenzyl chloride

• CAS: 19692-45-6
• Catalog Number: ACM19692456
• Category: Alcohols
• Molecular Weight: 182.69
• Molecular Formula: C₁₁H₁₅Cl
• Hazard Statements: H226-H302-H315
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 4-tert-Butylbenzyl chloride?

The molecular formula of 4-tert-Butylbenzyl chloride is C11H15Cl.

What is the molecular weight of 4-tert-Butylbenzyl chloride?

The molecular weight of 4-tert-Butylbenzyl chloride is 182.69 g/mol.

What is the IUPAC name of 4-tert-Butylbenzyl chloride?

The IUPAC name of 4-tert-Butylbenzyl chloride is 1-tert-butyl-4-(chloromethyl)benzene.

What is the InChI of 4-tert-Butylbenzyl chloride?

The InChI of 4-tert-Butylbenzyl chloride is InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3.

What is the InChIKey of 4-tert-Butylbenzyl chloride?

The InChIKey of 4-tert-Butylbenzyl chloride is WAXIFMGAKWIFDQ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-tert-Butylbenzyl chloride?

The canonical SMILES of 4-tert-Butylbenzyl chloride is CC(C)(C)C1=CC=C(C=C1)CCl.

What is the CAS number of 4-tert-Butylbenzyl chloride?

The CAS number of 4-tert-Butylbenzyl chloride is 19692-45-6.

What is the European Community (EC) number of 4-tert-Butylbenzyl chloride?

The European Community (EC) number of 4-tert-Butylbenzyl chloride is 243-228-8.

What is the XLogP3-AA value of 4-tert-Butylbenzyl chloride?

The XLogP3-AA value of 4-tert-Butylbenzyl chloride is 4.

Is 4-tert-Butylbenzyl chloride a canonicalized compound?

Yes, 4-tert-Butylbenzyl chloride is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 50-00-0
• 253185-03-4

• 19692-45-6

Reference: [1]Patent: CN105294386,2016,A .Location in patent: Paragraph 0016; 0017; 0018

Downstream Synthesis Route 1

• 124-38-9
• 19692-45-6

• 32857-63-9

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 4, p. 1221 - 1224
[2] ChemCatChem, 2015, vol. 7, # 23, p. 3972 - 3977
[3] Journal of Medicinal Chemistry, 1969, vol. 12, # 3, p. 477 - 480
[4] Angewandte Chemie - International Edition, 2016, vol. 55, # 16, p. 5053 - 5057[5] Angew. Chem., 2016, vol. 128, # 16, p. 5137 - 5141,5

Downstream Synthesis Route 2

• 64-18-6
• 19692-45-6

• 32857-63-9

Reference: [1] Angewandte Chemie - International Edition, 2018, vol. 57, # 23, p. 6910 - 6914[2] Angew. Chem., 2018, vol. 130, # 23, p. 7026 - 7030,5

Downstream Synthesis Route 3

• 19692-45-6

• 3549-23-3

Reference: [1] Farmaco, 1999, vol. 54, # 10, p. 684 - 694

Downstream Synthesis Route 4

• 122-96-3
• 19692-45-6

• 94434-95-4

Reference: [1]Industrie Chimique Belge,1954,vol. 19,p. 1176,1181

Downstream Synthesis Route 5

• 143-33-9
• 19692-45-6

• 3288-99-1

Reference: [1]Tetrahedron,1994,vol. 50,p. 1275 - 1294
[2]Roczniki Chemii,1934,vol. 14,p. 1249,1252
Chemisches Zentralblatt,1935,vol. 106,p. 2807
[3]Recueil des Travaux Chimiques des Pays-Bas,1960,vol. 79,p. 1211 - 1222
[4]Collection of Czechoslovak Chemical Communications,1980,vol. 45,p. 1401 - 1407
[5]Il Farmaco,1999,vol. 54,p. 684 - 694

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