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1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine

1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832741-20-5

Catalog:	BB045807
Product Name:	1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine
CAS:	832741-20-5
Synonyms:	1-(2-Chloro-4-fluoro-benzyl)-1H-[1,2,4]triazol-3-ylamine

Technical Data

Computed Properties

IUPAC Name:	1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-amine
Description:	1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832741-20-5 ) is a useful research chemical.
Molecular Weight:	226.64
Molecular Formula:	C9H8ClFN4
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)CN2C=NC(=N2)N
InChI:	InChI=1S/C9H8ClFN4/c10-8-3-7(11)2-1-6(8)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14)
InChI Key:	AQRVJMONBCVKBA-UHFFFAOYSA-N
Boiling Point:	421.7±55.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³
Appearance:	Solid

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Related Functional Groups

Amines and Anilines

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Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[138169-43-4]
MTS Reagent

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0421521
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.0421521
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2