CAS
199440-38-5 Purity
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199440-38-5 Purity
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3-((Z)-amino(hydroxyimino)methyl)benzoic acid
CAS
199447-10-4
Catalog Number
ACM199447104
Category
Other Products
Molecular Weight
180.1607
Molecular Formula
C8H8N2O3
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Specification
Synonyms
3-((Z)-amino(hydroxyimino)methyl)benzoic acid;3-[(Hydroxyamino)iminomethyl]-benzoic acid
IUPAC Name
3-[(Z)-N-hydroxycarbamimidoyl]benzoic acid
Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C(=NO)N
InChI Key
LJCLPFBIVUPTAR-UHFFFAOYSA-N
Boiling Point
469.7ºC at 760 mmHg
Melting Point
196 - 197ºC
Flash Point
237.9ºC
Density
1.42 g/cm³
Appearance
Off white Solid
Exact Mass
180.05300
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
5
H-Bond Donor
3
Safety Description
22 26 36/37/39
Upstream Synthesis Route 1
- 1877-72-1
- 199447-10-4
Reference: [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 7425 - 7434
[2]Chemische Berichte,1887,vol. 20,p. 521
[3]Patent: EP1864976,2007,A1 .Location in patent: Page/Page column 19
[4]Patent: US2010/280030,2010,A1 .Location in patent: Page/Page column 39-40
[5]Patent: US2011/269765,2011,A1 .Location in patent: Page/Page column 19-20
Downstream Synthesis Route 1
- 199447-10-4
- 445-29-4
- 775304-57-9
Reference: [1] Patent: CN106279057, 2017, A, . Location in patent: Paragraph 0023; 0024
Downstream Synthesis Route 2
- 199447-10-4
- 407-25-0
- 1092400-82-2
Reference: [1] Patent: WO2013/6408, 2013, A1, . Location in patent: Page/Page column 39; 40
Downstream Synthesis Route 3
- 199447-10-4
- 264264-32-6
Reference: [1]Mueller,G.
[Chemische Berichte, 1886, vol. 19, p. 1497]
Downstream Synthesis Route 4
- 199447-10-4
- 122-51-0
- 912577-30-1
Reference: [1]Current Patent Assignee: ASTELLAS PHARMA INC. - EP1864976, 2007, A1
Location in patent: Page/Page column 19
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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