Catalog No.:AA003IEQ

90-16-4 | 1,2,3-Benzotriazin-4(3H)-one

Name: Name:1,2,3-Benzotriazin-4(3H)-one
Brand: AABLOCKS
SKU: AA003IEQ
Availability: InStock
Rating: 90 (10 reviews)

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25g

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA003IEQ

Chemical Name:

1,2,3-Benzotriazin-4(3H)-one

CAS Number:

90-16-4

Molecular Formula:

C7H5N3O

Molecular Weight:

147.1341

MDL Number:

MFCD00052387

SMILES:

O=c1[nH]nnc2c1cccc2

Properties

BP:

282℃

Form:

Solid

MP:

216-218 °C(lit.)

Refractive Index:

1.5500 (estimate)

Solubility:

Soluble in most organic solvents.

Storage:

Inert atmosphere;Room Temperature;

Computed Properties

Complexity:

202

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

XLogP3:

1.4

Downstream Synthesis Route

50-00-0

90-16-4

24310-40-5

[1]ChemicalPapers,2018,vol.72,p.2193-2202

[2]Patent:CN107602493,2019,B.Locationinpatent:Paragraph0038;0043

[3]Patent:US2843588,1956,

874-05-5

90-16-4

[1]OrganicLetters,2018,vol.20,p.6494-6497

[2]ChemischeBerichte,1898,vol.31,p.2639 JustusLiebigsAnnalenderChemie,1899,vol.305,p.347

[3]ChemischeBerichte,1898,vol.31,p.2639 JustusLiebigsAnnalenderChemie,1899,vol.305,p.347

[4]ChemischeBerichte,1898,vol.31,p.2639 JustusLiebigsAnnalenderChemie,1899,vol.305,p.347

[5]ChemischeBerichte,1898,vol.31,p.2639 JustusLiebigsAnnalenderChemie,1899,vol.305,p.347

28144-70-9

90-16-4

[1]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.2641-2644

[2]Patent:CN107602493,2019,B.Locationinpatent:Paragraph0038;0042

[3]Patent:CN108276352,2018,A.Locationinpatent:Paragraph0141;0142;0143

[4]ChemicalPapers,2018,vol.72,p.2193-2202

[5]ChineseChemicalLetters,2019,vol.30,p.1207-1213

[6]TetrahedronLetters,2019,vol.60,p.248-251

[7]Tetrahedron,1991,vol.47,p.8917-8930

[8]JournalofOrganicChemistry,1997,vol.62,p.7165-7169

[9]JournalfurpraktischeChemie(Leipzig1954),1887,vol.<2>35,p.262

[10]JournaloftheIndianChemicalSociety,1984,vol.61,p.65-67

[11]MagneticResonanceinChemistry,2002,vol.40,p.300-302

[12]JournalofAgriculturalandFoodChemistry,2015,vol.63,p.6883-6889

[13]ChineseChemicalLetters,2015,vol.26,p.1502-1506

[14]ChineseChemicalLetters,2017,vol.28,p.1044-1048

[15]Phosphorus,SulfurandSiliconandtheRelatedElements,2020,vol.195,p.194-200

[16]Bioorganicandmedicinalchemistryletters,2020,vol.30

90-16-4

2909-38-8

81905-03-5

[1]Herlinger,H.[AngewandteChemie,1964,vol.76,p.437]

90-16-4

2009-83-8

113642-21-0

[1]EuropeanJournalofMedicinalChemistry,1987,vol.22,p.337-346

Literature

Title: Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists.

Journal: Bioorganic & medicinal chemistry 20121015

Title: Study of energetics and structure of 1,2,3-benzotriazin-4(3H)-one and its 1H and enol tautomers.

Journal: The journal of physical chemistry. B 20110526

Title: Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt).

Journal: Journal of medicinal chemistry 20101223

Title: Photodegradation of organophosphorus insecticides - investigations of products and their toxicity using gas chromatography-mass spectrometry and AChE-thermal lens spectrometric bioassay.

Journal: Chemosphere 20070201

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