3-Bromo-6-nitro-1H-indazole

• CAS: 70315-68-3
• Catalog Number: ACM70315683
• Category: Bromine Series
• Molecular Weight: 242.03
• Molecular Formula: C₇H₄BrN₃O₂
• Synonyms: 3-bromo-6-nitro-1H-indazole, 70315-68-3, 3-BROMO-6-NITROINDAZOLE, 3-Bromo-6-nitro indazole, SBB054701, AG-G-74570, PubChem22111, SureCN2860178, 3-bromo-6-nitro-2H-indazole, AC1LD133, 1H-Indazole,3-bromo-6-nitro-, CTK5D2229, 1H-indazole, 3-bromo-6-nitro-, MolPort-000-001-822, ANW-44970, RW2885, WTI-10085, ZINC08730189, AKOS005072391, MCULE-2506163961
• IUPAC Name: 3-bromo-6-nitro-2H-indazole
• Canonical SMILES: C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Br
• InChI Key: JUKJZBGTZKOXPG-UHFFFAOYSA-N
• Boiling Point: 257ºC at 760 mmHg
• Melting Point: 235-236ºC
• Flash Point: 109.2ºC
• Density: 1.965g/cm³
• Exact Mass: 240.94900
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 3-Bromo-6-nitro-1H-indazole?

The molecular formula of 3-Bromo-6-nitro-1H-indazole is C7H4BrN3O2.

What is the molecular weight of 3-Bromo-6-nitro-1H-indazole?

The molecular weight of 3-Bromo-6-nitro-1H-indazole is 242.03 g/mol.

What is the IUPAC name of 3-Bromo-6-nitro-1H-indazole?

The IUPAC name of 3-Bromo-6-nitro-1H-indazole is 3-bromo-6-nitro-2H-indazole.

What is the InChI of 3-Bromo-6-nitro-1H-indazole?

The InChI of 3-Bromo-6-nitro-1H-indazole is InChI=1S/C7H4BrN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10).

What is the InChIKey of 3-Bromo-6-nitro-1H-indazole?

The InChIKey of 3-Bromo-6-nitro-1H-indazole is JUKJZBGTZKOXPG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-6-nitro-1H-indazole?

The canonical SMILES of 3-Bromo-6-nitro-1H-indazole is C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Br.

What is the CAS number of 3-Bromo-6-nitro-1H-indazole?

The CAS number of 3-Bromo-6-nitro-1H-indazole is 70315-68-3.

What is the XLogP3-AA value of 3-Bromo-6-nitro-1H-indazole?

The XLogP3-AA value of 3-Bromo-6-nitro-1H-indazole is 2.4.

How many hydrogen bond donor counts does 3-Bromo-6-nitro-1H-indazole have?

3-Bromo-6-nitro-1H-indazole has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Bromo-6-nitro-1H-indazole have?

3-Bromo-6-nitro-1H-indazole has 3 hydrogen bond acceptor counts.

Synthetic Use

Upstream Synthesis Route 1

• 7597-18-4

• 70315-68-3

Reference: [1] Synthesis, 2011, # 16, p. 2651 - 2663

Upstream Synthesis Route 2

• 74209-32-8

• 70315-68-3

Reference: [1] Tetrahedron, 1980, vol. 36, p. 3523 - 3534

Upstream Synthesis Route 3

• 99-55-8

• 70315-68-3

Reference: [1] Chemische Berichte, 1890, vol. 23, p. 3642[2] Chemische Berichte, 1892, vol. 25, p. 3152
[3] Chemische Berichte, 1890, vol. 23, p. 3642[4] Chemische Berichte, 1892, vol. 25, p. 3152

Downstream Synthesis Route 1

• 70315-68-3

• 74209-41-9
• 74209-32-8

Reference: [1]Journal of the Chemical Society,1941,p. 113,117

Downstream Synthesis Route 2

• 70315-68-3

• 52347-72-5

Reference: [1]Patent: US2787515,1955,

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