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Merck
CN

340545

1,2,3-苯并三嗪-4(3H)-酮

98%

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经验公式(希尔记法):
C7H5N3O
化学文摘社编号:
分子量:
147.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
201-971-5
MDL number:
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产品名称

1,2,3-苯并三嗪-4(3H)-酮, 98%

InChI key

DMSSTTLDFWKBSX-UHFFFAOYSA-N

InChI

1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)

SMILES string

O=C1NN=Nc2ccccc12

assay

98%

form

powder

mp

216-218 °C (lit.)

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General description

1,2,3-Benzotriazin-4(3H)-one is an 1,2,3-benzotriazine derivative. 1,2,3-Benzotriazin-4(3H)-one undergoes thermal condensation with α-amino acids to yield 3H-1,4-benzodiazepin-(1H,4H)-2,5-diones. 1,2,3-benzotriazin-4(3H)-one on thermolysis yields quinazolino[3,2-c][1,2,3]benzotriazin-8-one.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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分析证书(COA)

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G Caliendo et al.
Bioorganic & medicinal chemistry, 8(3), 533-538 (2000-03-25)
A series of novel 1,2,3-benzotriazin-4-one derivatives was prepared and evaluated as ligands for 5-HT receptors. Radioligand binding assays proved that the majority of the novel compounds behaved as good to excellent ligands at the 5-HT1A receptor, some of which were
E D Woodland et al.
The Journal of pharmacy and pharmacology, 48(2), 223-227 (1996-02-01)
1,2,3-Benzotriazin-4-one derivatives are extensively used as herbicides, insecticides and nematicides. Incorporation of these compounds into the human food chain is a cause for concern, since their toxicity to man is well documented. This work describes the development of a data-base
Angela Corvino et al.
Current medicinal chemistry, 25(27), 3214-3227 (2018-02-10)
The 5-HT1A receptor is a pharmacologically well characterized serotonin receptor subtype and it has long been investigated because of its involvement in several physiopathological mechanisms and treatment of neurological diseases like ansia and depression. Serotonin (5-HT) also shows many non-neural
Margarida S Miranda et al.
The journal of physical chemistry. B, 115(20), 6616-6622 (2011-05-06)
This paper reports an experimental and computational study on the energetics of 1,2,3-benzotriazin-4(3H)-one. The standard (p° = 0.1 MPa) molar enthalpy of formation of solid 1,2,3-benzotriazin-4(3H)-one, at T = 298.15 K, was derived from its standard massic energy of combustion
Thermolysis of 1, 2, 3-benzotriazin-4 (3 H)-one.
Murray AR and Vaughan K.
J. Chem. Soc. Sect. C, 15, 2070-2074 (1970)

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