2-Hydroxy-4-nitrobenzonitrile

CAS

39835-14-8

Catalog Number

ACM39835148

Category

Other Products

Molecular Weight

164.12

Molecular Formula

C₇H₄N₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

2-HYDROXY-4-NITROBENZONITRILE;2-HYDROXY-4-NITROBENZONITRILE 98%;2-Cyano-5-nitrophenol

IUPAC Name

2-hydroxy-4-nitrobenzonitrile

Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)C#N

InChI Key

DZNPHVPBCNZVGW-UHFFFAOYSA-N

Boiling Point

370.6ºC at 760mmHg

Melting Point

160-161ºC

Flash Point

177.9ºC

Density

1.49g/cm³

Appearance

Yellow needles

Exact Mass

164.02200

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

39835-08-0

39835-14-8

Reference: [1]Bollettino delle Sedute della Accademia Gioenia di Scienze Naturali in Catania,1957,vol. <4> 4,p. 205,213
[2]Journal of Organic Chemistry,2001,vol. 66,p. 5866 - 5874

Downstream Synthesis Route 1

39835-14-8

65-49-6

Reference: [1] Journal of the Society of Chemical Industry, London, 1949, vol. 68, p. 329
[2] Farmaco (1946-1952), 1948, vol. 3, p. 509,523

Downstream Synthesis Route 2

39835-14-8

67608-58-6

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 1, p. 132 - 135
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 3, p. 668 - 671
[3] Patent: WO2007/38387, 2007, A2, . Location in patent: Page/Page column 24; 25
[4] Justus Liebigs Annalen der Chemie, 1912, vol. 390, p. 23
[5] Patent: US6140353, 2000, A,

Downstream Synthesis Route 3

39835-14-8

7251-09-4

Reference: [1] Journal of Medicinal Chemistry, 2001, vol. 44, # 23, p. 3856 - 3871
[2] Journal of the American Chemical Society, 1952, vol. 74, p. 2226,2235
[3] Journal of the American Chemical Society, 1952, vol. 74, p. 2226,2235

Downstream Synthesis Route 4

1932-03-2
39835-14-8

500335-56-8

Reference: [1]Clinton; Laskowski
[Journal of the American Chemical Society, 1952, vol. 74, p. 2226,2235]
Current Patent Assignee: Sterling Drug Inc. - US2642436, 1951, A
[2]Clinton; Laskowski
[Journal of the American Chemical Society, 1952, vol. 74, p. 2226,2235]
Current Patent Assignee: Sterling Drug Inc. - US2642436, 1951, A
[3]Clinton; Laskowski
[Journal of the American Chemical Society, 1952, vol. 74, p. 2226,2235]
Current Patent Assignee: Sterling Drug Inc. - US2642436, 1951, A

Downstream Synthesis Route 5

515-46-8
39835-14-8

642081-59-2

Reference: [1]Journal of the American Chemical Society,1952,vol. 74,p. 2226,2235

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