4-Bromobenzamidine

• CAS: 22265-36-7
• Catalog Number: ACM22265367
• Category: Bromine Series
• Molecular Weight: 199.05
• Molecular Formula: C₇H₇BrN₂
• Synonyms: 4-BROMO-BENZAMIDINE;CHEMBRDG-BB 4012620;4-BROMOBENZENECARBOXIMIDAMIDE HYDROCHLORIDE;4-bromobenzammidine
• IUPAC Name: 4-bromobenzenecarboximidamide
• InChI Key: JODFDXUBCBQKNC-UHFFFAOYSA-N
• Boiling Point: 260.8ºC at 760mmHg
• Flash Point: 111.5ºC
• Density: 1.62g/cm³
• Exact Mass: 233.95600
• H-Bond Acceptor: 1
• H-Bond Donor: 2

Custom Q&A

What is the PubChem CID of 4-Bromobenzamidine?

The PubChem CID of 4-Bromobenzamidine is 4436571.

What is the molecular formula of 4-Bromobenzamidine?

The molecular formula of 4-Bromobenzamidine is C7H7BrN2.

What is the molecular weight of 4-Bromobenzamidine?

The molecular weight of 4-Bromobenzamidine is 199.05 g/mol.

What is the IUPAC name of 4-Bromobenzamidine?

The IUPAC name of 4-Bromobenzamidine is 4-bromobenzenecarboximidamide.

What is the InChI of 4-Bromobenzamidine?

The InChI of 4-Bromobenzamidine is InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10).

What is the InChIKey of 4-Bromobenzamidine?

The InChIKey of 4-Bromobenzamidine is JODFDXUBCBQKNC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromobenzamidine?

The canonical SMILES of 4-Bromobenzamidine is C1=CC(=CC=C1C(=N)N)Br.

What is the CAS number of 4-Bromobenzamidine?

The CAS number of 4-Bromobenzamidine is 22265-36-7.

What is the European Community (EC) number of 4-Bromobenzamidine?

The European Community (EC) number of 4-Bromobenzamidine is 826-735-4.

Is 4-Bromobenzamidine a canonicalized compound?

Yes, 4-Bromobenzamidine is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 623-00-7

• 22265-36-7

Reference: [1] Patent: CN105669651, 2016, A, . Location in patent: Paragraph 0067; 0068

Upstream Synthesis Route 2

• 55368-42-8

• 22265-36-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 7, p. 2369 - 2375
[2] Patent: EP2862856, 2015, A1, . Location in patent: Paragraph 0651; 0652
[3] Tetrahedron Letters, 2018, vol. 59, # 4, p. 361 - 364

Upstream Synthesis Route 3

• 19227-14-6

• 22265-36-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 13, p. 3013 - 3032
[2] ChemMedChem, 2015, vol. 10, # 2, p. 360 - 367

Upstream Synthesis Route 4

• 623-00-7
• 19402-64-3

• 22265-36-7

Reference: [1]Journal of the Chemical Society,1946,p. 147,149

Upstream Synthesis Route 5

• 623-00-7

• 22265-36-7

Reference: [1]Current Patent Assignee: LUOXIN PHARMACEUTICALS GROUP STOCK CO LTD - CN105669651, 2016, A
Location in patent: Paragraph 0067; 0068

Downstream Synthesis Route 1

• 98-03-3
• 1072-72-6
• 22265-36-7

• 1360596-15-1

Reference: [1]Jiang, Bo; Xue, Li-Yuan; Wang, Xing-Han; Tu, Man-Su; Liu, Yin-Ping; Tu, Shu-Jiang
[Tetrahedron Letters, 2012, vol. 53, # 10, p. 1261 - 1264]

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