6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Basic Information

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CAS Number

888721-83-3

Molecular Formula

C6H4BrN3O

Molecular Weight

214.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Density

2.09

SMILES

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C1=C2C(=O)NC=NN2C=C1Br

InChI

InChI=1S/C6H4BrN3O/c7-4-1-5-6(11)8-3-9-10(5)2-4/h1-3H,(H,8,9,11)

InChIKey

ISWMRQCCABXILJ-UHFFFAOYSA-N

LogP

1.1973999999999998

Topological Polar Surface Area

50.42 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

218

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Synonyms & References

English

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
6-BROMOPYRROLO[1,2-F][1,2,4]TRIAZIN-4(3H)-ONE
6-bromo-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one
6-bromo-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
6-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 6-bromo-
6-bromopyrrolo[2,1-f][1,2,4]triazin-4-ol
ISWMRQCCABXILJ-UHFFFAOYSA-N
BCP19188
SC2361
FCH3704588
AM81037
SY031515
AX8224382
W9185
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one (ACI)
CS-0044409
DS-1723
DTXSID90610617
J-518464
6-Bromopyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
SCHEMBL16652551
DB-108018
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
6-Bromopyrrolo[2 pound not1-f][1 pound not2 pound not4]triazin-4(3H)-one
6-BROMO-4-HYDROXYPYRROLO[1,2-F][1,2,4]TRIAZINE
SCHEMBL25080480
MFCD11973831
EN300-4252752
888721-83-3
SCHEMBL4817564

MDL Number

MFCD11973831

FAQ

What is 6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one (CAS: 888721-83-3)?

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one is a heterocyclic organic compound with the CAS number 888721-83-3. It is characterized by its molecular structure which includes a pyrrolo[2,1-f][1,2,4]triazinone ring system with a bromine atom substituent. This compound is used in various applications due to its unique chemical properties.

What are the main uses of 6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one (CAS: 888721-83-3)?

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one is primarily used in pharmaceuticals for its potential as a bioactive molecule. It is also applied in organic synthesis as a precursor for other chemical compounds. Additionally, it may be used in research settings for studying chemical reactions and properties.

Is 6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one (CAS: 888721-83-3) safe?

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one is generally safe when handled with appropriate precautions. However, it should be used and stored in a well-ventilated area to avoid inhalation of dust. Protective gloves, eye protection, and laboratory clothing are recommended to prevent skin contact and eye irritation. Proper disposal should follow environmental regulations.

How should 6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one (CAS: 888721-83-3) be stored?

6-Bromopyrrolo[2,1-f][1,2,4]triazin-4(3H)-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to moisture and air. Store it at a temperature not exceeding 25°C and ensure good ventilation to minimize the risk of fire or explosion.