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Benzonitrile,3-hydroxy-4-nitro-

CAS
18495-15-3
Catalog Number
ACM18495153
Category
Other Products
Molecular Weight
164.12
Molecular Formula
C7H4N2O3
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  • Product Description
  • Synthetic Use

Specification

Synonyms
4-NITRO-3-HYDROXY-BENZONITRILE;3-HYDROXY-4-NITROBENZONITRILE
IUPAC Name
3-hydroxy-4-nitrobenzonitrile
Canonical SMILES
C1=CC(=C(C=C1C#N)O)[N+](=O)[O-]
InChI Key
JHNIFYUIFUWEFO-UHFFFAOYSA-N
Boiling Point
313.6ºC at 760 mmHg
Flash Point
143.5ºC
Density
1.49 g/cm³
Exact Mass
164.02200
H-Bond Acceptor
4
H-Bond Donor
1

Upstream Synthesis Route 1

  • 873-62-1

Reference: [1]Patent: US5886044,1999,A

Downstream Synthesis Route 1

Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 6, p. 1319 - 1321

Downstream Synthesis Route 2

Reference: [1] Patent: US5886044, 1999, A,

Downstream Synthesis Route 3

Reference: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 1319 - 1321

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

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