4-Bromo-1,8-naphthalenedicarboxylic anhydride

• CAS: 81-86-7
• Catalog Number: ACM81867
• Category: Bromine Series
• Molecular Weight: 277.07
• Molecular Formula: C₁₂H₅BrO₃
• Synonyms: 6-BROMO-BENZO[DE]ISOCHROMENE-1,3-DIONE;6-Bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dione;4-BROMO-1,8-NAPHTHALENEDICARBOXYLIC ANHYDRIDE;4-BROMONAPHTHALIC ANHYDRIDE;1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, 6-bromo-;4-Bromo-1,8-naphthalic anhydride;7-Bromo-1H,3H-nap

Custom Q&A

What is the molecular formula of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The molecular formula is C12H5BrO3.

What is the molecular weight of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The molecular weight is 277.07 g/mol.

What are the synonyms for 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The synonyms include 4-Bromo-1,8-naphthalic anhydride, 6-Bromobenzo[de]isochromene-1,3-dione, and 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-.

What is the InChI of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

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

What is the InChIKey of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The InChIKey is DTUOTSLAFJCQHN-UHFFFAOYSA-N.

What is the computed XLogP3-AA value of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The computed XLogP3-AA value is 3.2.

How many hydrogen bond donor counts does 4-Bromo-1,8-naphthalenedicarboxylic anhydride have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Bromo-1,8-naphthalenedicarboxylic anhydride have?

It has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-Bromo-1,8-naphthalenedicarboxylic anhydride?

The topological polar surface area is 43.4Ų.

Is 4-Bromo-1,8-naphthalenedicarboxylic anhydride a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 81-84-5

• 81-86-7

Reference: [1] Chemistry - A European Journal, 2011, vol. 17, # 44, p. 12257 - 12261

Downstream Synthesis Route 1

• 81-86-7
• 1738-25-6

• 81-83-4
• 77976-79-5
• 83927-02-0
• 82616-18-0

Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 1754 - 1755[2] Zhurnal Organicheskoi Khimii, 1982, vol. 18, # 9, p. 1997 - 1998
[3] Journal of Organic Chemistry USSR (English Translation), 1982, vol. 18, p. 1754 - 1755[4] Zhurnal Organicheskoi Khimii, 1982, vol. 18, # 9, p. 1997 - 1998

Downstream Synthesis Route 2

• 81-86-7

• 6492-86-0

Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 13, p. 3931 - 3935
[2] Chemistry - A European Journal, 2016, vol. 22, # 25, p. 8579 - 8585
[3] RSC Advances, 2018, vol. 8, # 21, p. 11419 - 11423
[4] Journal of Materials Chemistry B, 2018, vol. 6, # 18, p. 2860 - 2868
[5] Patent: CN108069967, 2018, A,

Downstream Synthesis Route 3

• 81-86-7

• 52559-36-1

Reference: [1]Location in patent: scheme or table
Zhang, Yi-Yi; Zhou, Cheng-He
[Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 14, p. 4349 - 4352]

Downstream Synthesis Route 4

• 81-86-7
• 56-40-6

• 53497-33-9

Reference: [1]Zhu, Zifan; Ding, Haichang; Wang, Yuesong; Fan, Congbin; Tu, Yayi; Liu, Gang; Pu, Shouzhi
[Tetrahedron, 2020, vol. 76, # 26]

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