3-Bromo-1,8-naphthalic anhydride

• CAS: 24050-49-5
• Catalog Number: ACM24050495
• Category: Bromine Series
• Molecular Weight: 277.0737
• Molecular Formula: C12H5BrO3
• Synonyms: 5-BROMO-BENZO(DE)ISOCHROMENE-1,3-DIONE; 3-bromo-naphthalene-1,8-dicarboxylic acid anhydride; 3-Brom-naphthalin-1,8-dicarbonsaeure-anhydrid; 3-bromo-1,8-naphthalic anhydride; 3-bromonaphthoic anhydride; 3-bromonaphthalic-1,8-anhydride
• IUPAC Name: 5-Bromobenzo[de]isochromene-1,3-dione
• Canonical SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)Br
• InChI Key: LYXFXCSFCWZGNZ-UHFFFAOYSA-N
• Boiling Point: 468.9ºC at 760 mmHg
• Melting Point: 244-246ºC
• Flash Point: 237.4ºC
• Density: 1.812g/cm³
• Exact Mass: 275.94200
• MDL Number: MFCD00228162
• Safety Description: S26-S36
• Size: 100mg,250mg,500mg,1g,5g,25g

Custom Q&A

What is the molecular formula of 3-Bromo-1,8-naphthalic anhydride?

The molecular formula is C12H5BrO3.

What is the molecular weight of 3-Bromo-1,8-naphthalic anhydride?

The molecular weight is 277.07 g/mol.

What is the IUPAC name of 3-Bromo-1,8-naphthalic anhydride?

The IUPAC name is 7-bromo-3-oxatricyclo[7.3.1.0 5,13 ]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.

What is the InChI of 3-Bromo-1,8-naphthalic anhydride?

The InChI is InChI=1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H.

What is the InChIKey of 3-Bromo-1,8-naphthalic anhydride?

The InChIKey is LYXFXCSFCWZGNZ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-1,8-naphthalic anhydride?

The canonical SMILES is C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)Br.

What is the CAS identifier of 3-Bromo-1,8-naphthalic anhydride?

The CAS identifier is 24050-49-5.

What is the hydrogen bond donor count of 3-Bromo-1,8-naphthalic anhydride?

The hydrogen bond donor count is 0.

Is 3-Bromo-1,8-naphthalic anhydride a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 81-84-5

• 24050-49-5

Reference: [1]Pinto-Bazurco Mendieta, Mariano A.E.; Negri, Matthias; Jagusch, Carsten; Hille, Ulrike E.; Mueller-Vieira, Ursula; Schmidt, Dirk; Hansen, Klaus; Hartmann, Rolf W.
[Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 1, p. 267 - 273]

Downstream Synthesis Route 1

• 24050-49-5

• 16726-66-2

Reference: [1]Current Patent Assignee: GREEN CROSS HOLDINGS CORPORATION - WO2010/147430, 2010, A2
Location in patent: Page/Page column 113-114

Downstream Synthesis Route 2

• 24050-49-5

• 16726-66-2
• 51934-38-4

Reference: [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2013/164326, 2013, A1
Location in patent: Page/Page column 19; 20

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