4-Chloropyrrolo[2,1-f][1,2,4]triazine

Basic Information

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CAS Number

888720-29-4

Molecular Formula

C6H4ClN3

Molecular Weight

153.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Solid

Density

1.51

Refractive Index

1.791

SMILES

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C1=CN2C(=C1)C(=NC=N2)Cl

InChI

InChI=1S/C6H4ClN3/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H

InChIKey

ONTLBVKRDUFQFP-UHFFFAOYSA-N

LogP

1.3827

Topological Polar Surface Area

30.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

130

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Chloropyrrolo[2,1-f][1,2,4]triazine
4-chloropyrrolo[1,2-f][1,2,4]triazine
Pyrrolo[2,1-f][1,2,4]triazine,4-chloro-
Pyrrolo[2,1-f][1,2,4]triazine, 4-chloro-
PubChem14715
ONTLBVKRDUFQFP-UHFFFAOYSA-N
FCH894423
PB19155
LS40859
AX8158796
AB0027359
W9184
ST24029058
AM20120280
H112885
4-chloropyrrolo[2,1-f][1,2,4]triazine
4-Chloropyrrolo[2,1-f][1,2,4]triazine (ACI)
CS-0006624
DS-1332
888720-29-4
DTXSID70610615
pyrrolo[2,1-f][1,2,4]triazine,4-chloro-
SCHEMBL4818798
FS-3442
SY006853
EN300-180268
AKOS006322834
J-515200
Z1198329757
4-Chloropyrrolo[1,2-f][1,2,4]-triazine
MFCD11519387

MDL Number

MFCD11519387

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4)?

4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) with potential hazards such as skin and eye irritation. It is also regulated by REACH in the European Union, requiring registration if used in quantities over 1 tonne per year. FDA and EPA have specific requirements for its use and disposal in the United States, focusing on environmental and health safety.

Are there alternatives to 4-Chloropyrrolo[2,1-f][1,2,4]triazine in synthesis?

In synthesis, alternatives to 4-Chloropyrrolo[2,1-f][1,2,4]triazine include other heterocyclic compounds like 4-bromo-pyrrolo[2,1-f][1,2,4]triazine or other nitrogen-containing heterocycles. Isomers such as 4-fluoropyrrolo[2,1-f][1,2,4]triazine can also be used as substitutes depending on the specific reaction conditions and desired product properties. Common reagents that can serve as alternatives include various chloro- or fluoro-substituted heterocycles.

What is the market or research trend for 4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4)?

The market for 4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4) is growing due to its applications in pharmaceuticals, pesticides, and as an intermediate in various chemical syntheses. Research trends focus on its use in developing novel therapeutic agents and its environmental impact. Recent studies are exploring its potential in antimicrobial and antiparasitic applications, driven by increasing demand for effective and sustainable chemical solutions.

How should waste containing 4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4) be handled?

Waste containing 4-Chloropyrrolo[2,1-f][1,2,4]triazine (CAS: 888720-29-4) should be collected and treated in a closed system to prevent environmental contamination. It should be neutralized with a suitable reagent to reduce its toxicity before disposal. Incineration is a viable method for disposal, provided it is conducted in an authorized facility with proper air pollution control measures. Alternatively, professional waste disposal services can handle the waste, ensuring compliance with local and international environmental regulations.