340545
1,2,3-Benzotriazin-4(3H)-one
98%
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About This Item
Empirical Formula (Hill Notation):
C7H5N3O
CAS Number:
Molecular Weight:
147.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
201-971-5
MDL number:
Assay:
98%
Form:
powder
Product Name
1,2,3-Benzotriazin-4(3H)-one, 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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
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
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
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