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340545

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

Name: 1,2,3-Benzotriazin-4(3<I>H</I>)-one
Brand: ALDRICH

98%

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About This Item

Empirical Formula (Hill Notation):

C₇H₅N₃O

CAS Number:

90-16-4

Molecular Weight:

147.13

NACRES:

NA.22

PubChem Substance ID:

24860827

UNSPSC Code:

12352100

EC Number:

201-971-5

MDL number:

MFCD00052387

Assay:

98%

Form:

powder

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Properties

assay

98%

form

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

Description

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

GHS07

signalword

Warning

hcodes

H302,H315,H319,H335

pcodes

P261 - P264 - P271 - P301 + P312 - P302 + P352 - P305 + P351 + P338

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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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)

The Role of 5-HT1A Receptor in Cancer as a New Opportunity in Medicinal Chemistry.

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

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Global Trade Item Number

SKU	GTIN
340545-5G	04061833372173