Merck
CN

340545

Sigma-Aldrich

1,2,3-苯并三嗪-4(3H)-酮

98%

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经验公式(希尔记法):
C7H5N3O
CAS号:
分子量:
147.13
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

检测方案

98%

形式

powder

mp

216-218 °C (lit.)

SMILES string

O=C1NN=Nc2ccccc12

InChI

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

InChI key

DMSSTTLDFWKBSX-UHFFFAOYSA-N

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一般描述

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.

象形图

Exclamation mark

警示用语:

Warning

危险分类

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

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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A novel one step approach to the synthesis of 3H-1, 4-benzodiazepin-(1H, 4H)-2, 5-diones from 1, 2, 3-benzotriazin-4-(3H)-one.
Gupta R, et al.
Heterocyclic Communications, 9(4), 363-366 (2003)
Thermolysis of 1, 2, 3-benzotriazin-4 (3 H)-one.
Murray AR and Vaughan K.
J. Chem. Soc. Sect. C, 15, 2070-2074 (1970)
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
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

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