CAS
39835-06-8 Purity
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39835-06-8 Purity
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2-Hydroxy-5-nitrobenzonitrile
CAS
39835-09-1
Catalog Number
ACM39835091
Category
Other Products
Molecular Weight
164.118260 [g/mol]
Molecular Formula
C7H4N2O3
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Specification
Synonyms
2-hydroxy-5-nitrobenzonitrile, SBB023584, 39835-09-1, 2-hydroxy-5-nitrobenzenecarbonitrile, SureCN1342722, CTK7C7256, MolPort-000-893-967, Benzonitrile, 2-hydroxy-5-nitro-, ANW-52550, STK350664, AKOS000313146, AG-B-91183, AM61509, MCULE-7638434967, AK-43165, KB-24478, ST095860, EN300-49449
IUPAC Name
2-hydroxy-5-nitrobenzonitrile
Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)O
InChI Key
MPQNPFJBRPRBFF-UHFFFAOYSA-N
Exact Mass
164.02200
H-Bond Acceptor
4
H-Bond Donor
1
Upstream Synthesis Route 1
- 97-51-8
- 39835-28-4
- 39835-09-1
Reference: [1] Journal of Organic Chemistry, 2015, vol. 80, # 17, p. 8657 - 8667
Upstream Synthesis Route 2
- 463-71-8
- 10199-89-0
- 17417-09-3
- 39835-09-1
Reference: [1] Journal of Fluorine Chemistry, 1997, vol. 85, # 2, p. 169 - 172
[2] Journal of Fluorine Chemistry, 1997, vol. 85, # 2, p. 169 - 172
Upstream Synthesis Route 3
- 611-20-1
- 39835-09-1
Reference: [1]Current Patent Assignee: CHINA MEDICAL UNIVERSITY (PRC) - CN105294584, 2016, A
Location in patent: Paragraph 0017
Upstream Synthesis Route 4
- 611-20-1
- 39835-09-1
- 28177-79-9
Reference: [1]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2004/39764, 2004, A1
Location in patent: Page/Page column 88
[2]Cousin; Volmar
[Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1914, vol. 159, p. 330][Chemisches Zentralblatt, 1915, vol. 86, # I, p. 669]
[3]Zhang, Ting-jian; Wu, Qing-xia; Li, Song-ye; Wang, Lin; Sun, Qi; Zhang, Yi; Meng, Fan-hao; Gao, Hua
[Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 16, p. 3812 - 3816]
Upstream Synthesis Route 5
- 39835-28-4
- 39835-09-1
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 1147 - 1150
Downstream Synthesis Route 1
- 39835-09-1
- 64037-16-7
Reference: [1] Annali di Chimica (Rome, Italy), 1958, vol. 48, p. 657,660
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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