4-Bromonaphthalene-1-carbonitrile

CAS

92616-49-4

Catalog Number

ACM92616494

Category

Other Products

Molecular Weight

232.07604

Molecular Formula

C₁₁H₆BrN

MSDS COA Spec Sheet

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Specification

Synonyms

4-Bromonaphthalene-1-carbonitrile

IUPAC Name

4-bromonaphthalene-1-carbonitrile

Canonical SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)C#N

InChI Key

ITKIWUNXKKMMSE-UHFFFAOYSA-N

Melting Point

100 - 102 °C

Appearance

white solid

Exact Mass

230.96800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Bromonaphthalene-1-carbonitrile?

The molecular formula of 4-Bromonaphthalene-1-carbonitrile is C11H6BrN.

What are some synonyms for 4-Bromonaphthalene-1-carbonitrile?

Some synonyms for 4-Bromonaphthalene-1-carbonitrile are 4-Bromo-1-naphthonitrile, 4-Bromonaphthalene-1-carbonitrile, and MFCD17012445.

What is the molecular weight of 4-Bromonaphthalene-1-carbonitrile?

The molecular weight of 4-Bromonaphthalene-1-carbonitrile is 232.08 g/mol.

When was 4-Bromonaphthalene-1-carbonitrile created and last modified?

4-Bromonaphthalene-1-carbonitrile was created on February 9, 2007, and last modified on December 30, 2023.

What is the IUPAC name of 4-Bromonaphthalene-1-carbonitrile?

The IUPAC name of 4-Bromonaphthalene-1-carbonitrile is 4-bromonaphthalene-1-carbonitrile.

What is the InChIKey of 4-Bromonaphthalene-1-carbonitrile?

The InChIKey of 4-Bromonaphthalene-1-carbonitrile is ITKIWUNXKKMMSE-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 4-Bromonaphthalene-1-carbonitrile?

There are 0 hydrogen bond donor counts in 4-Bromonaphthalene-1-carbonitrile.

What is the topological polar surface area of 4-Bromonaphthalene-1-carbonitrile?

The topological polar surface area of 4-Bromonaphthalene-1-carbonitrile is 23.8 Å².

How many rotatable bond counts are there in 4-Bromonaphthalene-1-carbonitrile?

There are 0 rotatable bond counts in 4-Bromonaphthalene-1-carbonitrile.

Is 4-Bromonaphthalene-1-carbonitrile a canonicalized compound?

Yes, 4-Bromonaphthalene-1-carbonitrile is a canonicalized compound.

Upstream Synthesis Route 1

79996-99-9

92616-49-4

Reference: [1] Patent: CN105906530, 2016, A, . Location in patent: Paragraph 0113; 0114; 0115; 0116

Downstream Synthesis Route 1

92616-49-4

16650-55-8

Reference: [1] European Journal of Organic Chemistry, 2013, # 14, p. 2813 - 2822
[2] Journal of the American Chemical Society, 1923, vol. 45, p. 1775

Downstream Synthesis Route 2

92616-49-4

58728-64-6

Reference: [1] Patent: CN105601571, 2016, A,

Downstream Synthesis Route 3

92616-49-4

92-52-4
114262-77-0

Reference: [1]Tetrahedron Letters,1987,vol. 28,p. 5295 - 5298

Downstream Synthesis Route 4

92616-49-4

114262-77-0

Reference: [1]Tetrahedron Letters,1987,vol. 28,p. 5295 - 5298

Downstream Synthesis Route 5

92616-49-4

86-53-3

Reference: [1]Tetrahedron Letters,1987,vol. 28,p. 5295 - 5298
[2]Tetrahedron Letters,2008,vol. 49,p. 3400 - 3404
[3]Tetrahedron Letters,1987,vol. 28,p. 5295 - 5298

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