4-Isopropylbenzyl bromide

• CAS: 73789-86-3
• Catalog Number: ACM73789863
• Category: Aryl
• Molecular Weight: 213.11
• Molecular Formula: C₁₀H₇Cl
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-Isopropylbenzyl bromide?

The molecular formula of 4-Isopropylbenzyl bromide is C10H13Br.

What is the IUPAC name of 4-Isopropylbenzyl bromide?

The IUPAC name of 4-Isopropylbenzyl bromide is 1-(bromomethyl)-4-propan-2-ylbenzene.

What is the InChI code of 4-Isopropylbenzyl bromide?

The InChI code of 4-Isopropylbenzyl bromide is InChI=1S/C10H13Br/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3.

What is the InChIKey of 4-Isopropylbenzyl bromide?

The InChIKey of 4-Isopropylbenzyl bromide is YXTHBZLABLYGEE-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Isopropylbenzyl bromide?

The canonical SMILES of 4-Isopropylbenzyl bromide is CC(C)C1=CC=C(C=C1)CBr.

What is the molecular weight of 4-Isopropylbenzyl bromide?

The molecular weight of 4-Isopropylbenzyl bromide is 213.11 g/mol.

What is the XLogP3 value of 4-Isopropylbenzyl bromide?

The XLogP3 value of 4-Isopropylbenzyl bromide is 4.3.

How many hydrogen bond donor counts does 4-Isopropylbenzyl bromide have?

4-Isopropylbenzyl bromide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Isopropylbenzyl bromide have?

4-Isopropylbenzyl bromide has 0 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-Isopropylbenzyl bromide have?

4-Isopropylbenzyl bromide has 2 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 536-60-7

• 73789-86-3

Reference: [1] Bulletin of the Chemical Society of Ethiopia, 2012, vol. 26, # 2, p. 305 - 309

Upstream Synthesis Route 2

• 122-03-2

• 73789-86-3

Reference: [1] Tetrahedron Letters, 2007, vol. 48, # 38, p. 6681 - 6683
[2] Patent: WO2013/159095, 2013, A1,

Upstream Synthesis Route 3

• 50-00-0
• 98-82-8

• 73789-86-3

Reference: [1] Journal of the Indian Chemical Society, 1999, vol. 76, # 4, p. 216 - 217
[2] Journal of the Chemical Society, 1962, p. 3915 - 3926

Upstream Synthesis Route 4

• 536-60-7

• 73789-86-3

Reference: [1]Mokhtary, Masoud; Lakouraj, Moslem M.
[Bulletin of the Chemical Society of Ethiopia, 2012, vol. 26, # 2, p. 305 - 309]

Downstream Synthesis Route 1

• 143-33-9
• 73789-86-3

• 4395-87-3

Reference: [1]Patent: WO2009/47240,2009,A1 .Location in patent: Page/Page column 84

Downstream Synthesis Route 2

• 17302-46-4
• 73789-86-3

• 508211-56-1

Reference: [1]Patent: EP1437344,2004,A1 .Location in patent: Page 71

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