3-Bromo-9H-carbazole

• CAS: 1592-95-6
• Catalog Number: ACM1592956-2
• Category: Other
• Molecular Weight: 246.1
• Molecular Formula: C12H8BrN
• Synonyms: 3-BROMO-9H-CARBAZOLE;2-bromo-9H-carbazole;3-BROMOCARBAZOLE
• IUPAC Name: 3-bromo-9H-carbazole
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br
• InChI: InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
• InChI Key: LTBWKAYPXIIVPC-UHFFFAOYSA-N
• Boiling Point: 195 °C
• Melting Point: 160℃/6mm
• Density: 1.617 g/ml
• Appearance: White solid
• Complexity: 218
• Covalently-Bonded Unit Count: 1
• Exact Mass: 244.98401g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 244.98401g/mol
• NSC Number: 74389
• Rotatable Bond Count: 0
• XLogP3: 4.4

Custom Q&A

What is the molecular formula of 3-Bromo-9H-carbazole?

The molecular formula is C12H8BrN.

What is the molecular weight of 3-Bromo-9H-carbazole?

The molecular weight is 246.10 g/mol.

When was 3-Bromo-9H-carbazole created in PubChem?

It was created on March 26, 2005.

When was 3-Bromo-9H-carbazole last modified in PubChem?

It was last modified on December 2, 2023.

What is the IUPAC name of 3-Bromo-9H-carbazole?

The IUPAC name is 3-bromo-9H-carbazole.

What is the InChI (International Chemical Identifier) of 3-Bromo-9H-carbazole?

The InChI is InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H.

What is the InChIKey of 3-Bromo-9H-carbazole?

The InChIKey is LTBWKAYPXIIVPC-UHFFFAOYSA-N.

What is the canonical SMILES (Simplified Molecular Input Line Entry System) of 3-Bromo-9H-carbazole?

The canonical SMILES is C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br.

What is the CAS (Chemical Abstracts Service) number of 3-Bromo-9H-carbazole?

The CAS number is 1592-95-6.

Is 3-Bromo-9H-carbazole a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 86-74-8

• 1592-95-6

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 1, p. 363 - 366

Upstream Synthesis Route 2

• 105971-15-1

• 1592-95-6

Reference: [1] Patent: KR2015/102733, 2015, A, . Location in patent: Paragraph 0145-0149

Upstream Synthesis Route 3

• 21865-50-9

• 1592-95-6

Reference: [1] Tetrahedron Letters, 2018, vol. 59, # 22, p. 2145 - 2149
[2] Organic and Biomolecular Chemistry, 2014, vol. 12, # 27, p. 4832 - 4836
[3] Journal of the Chemical Society, 1945, p. 530,532

Upstream Synthesis Route 4

• 21865-50-9

• 1592-95-6

Reference: [1]Tetrahedron Letters,2018,vol. 59,p. 2145 - 2149
[2]Organic and Biomolecular Chemistry,2014,vol. 12,p. 4832 - 4836
[3]Journal of the Chemical Society,1945,p. 530,532

Downstream Synthesis Route 1

• 1592-95-6
• 77-78-1

• 91828-08-9

Reference: [1]Journal of the Chemical Society,1923,vol. 123,p. 2147

Downstream Synthesis Route 2

• 1592-95-6

• 51035-17-7

Reference: [1]Journal of the American Chemical Society,1941,vol. 63,p. 1553,1554

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