2-Naphthonitrile

CAS

613-46-7

Catalog Number

ACM613467

Category

Other Products

Molecular Weight

153.18

Molecular Formula

C₁₁H₇N

MSDS COA Spec Sheet

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Specification

Synonyms

2-Naphthonitrile, 2-Cyanonaphthalene, 2-Cyanonaphthylene, beta-Cyanonaphthalene, beta-Naphthonitrile, 2-Naphthalenenitrile, 2-NAPHTHALENECARBONITRILE, .beta.-Naphthonitrile, 673137_ALDRICH, NSC 4169, EINECS 210-344-5, NAPHTHALENE-2-CARBONITRILE, NSC4169, ZINC01510099, AI3-00234, LS-95487, ST5409646, 613-46-7, InChI=1/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7

IUPAC Name

naphthalene-2-carbonitrile

Canonical SMILES

C1=CC=C2C=C(C=CC2=C1)C#N

InChI Key

AZKDTTQQTKDXLH-UHFFFAOYSA-N

Boiling Point

156-158ºC 12mm

Melting Point

63-68ºC

Flash Point

156-158°C/12mm

Density

1.0939 g/cm³ (60 C)

Appearance

White crystals

EC Number

210-344-5

Exact Mass

153.05800

Hazard Statements

T:Toxic;N:Dangerousfortheenvironment;Xn:Harmful;

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

S26-S36/37/39-S45-S61

Stability

Stable under normal temperatures and pressures.

Downstream Synthesis Route 1

613-46-7

1013-83-8

Reference: [1] Chemische Berichte, 1876, vol. 9, p. 1519

Downstream Synthesis Route 2

613-46-7

56961-89-8

Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1891, vol. <2> 43, p. 427

Downstream Synthesis Route 3

613-46-7

2241-98-7

Reference: [1] Journal of Carbohydrate Chemistry, 2011, vol. 30, # 7-9, p. 559 - 574
[2] Green Chemistry, 2013, vol. 15, # 11, p. 3020 - 3026
[3] Patent: US2006/205728, 2006, A1, . Location in patent: Page/Page column 31
[4] Journal of Organic Chemistry, 2015, vol. 80, # 14, p. 7281 - 7287
[5] Synlett, 2017, vol. 28, # 20, p. 2855 - 2858

Downstream Synthesis Route 4

613-46-7
925-90-6

6315-96-4

Reference: [1]Location in patent: experimental part
Lukas, Ronald J.; Muresan, Ana Z.; Damaj, M. Imad; Blough, Bruce E.; Huang, Xiaodong; Navarro, Hernán A.; Mascarella, S. Wayne; Eaton, J. Brek; Marxer-Miller, Syndia K.; Carroll, F. Ivy
[Journal of Medicinal Chemistry, 2010, vol. 53, # 12, p. 4731 - 4748]
[2]Haworth; Mavin; Sheldrick
[Journal of the Chemical Society, 1934, p. 454,458]
Hartung; Munch; Crossley
[Journal of the American Chemical Society, 1935, vol. 57, p. 1091]
[3]Haworth; Mavin; Sheldrick
[Journal of the Chemical Society, 1934, p. 454,458]
Hartung; Munch; Crossley
[Journal of the American Chemical Society, 1935, vol. 57, p. 1091]