1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832741-07-8

Catalog:	BB045805
Product Name:	1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine
CAS:	832741-07-8
Synonyms:	1-(3,4-Dichloro-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazole-3-ylamine

Technical Data

Computed Properties

IUPAC Name:	1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine
Description:	1-(3,4-Dichlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832741-07-8 ) is a useful research chemical.
Molecular Weight:	243.09
Molecular Formula:	C9H8Cl2N4
Canonical SMILES:	C1=CC(=C(C=C1CN2C=NC(=N2)N)Cl)Cl
InChI:	InChI=1S/C9H8Cl2N4/c10-7-2-1-6(3-8(7)11)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14)
InChI Key:	LKKVVLCJEWGQJO-UHFFFAOYSA-N
Boiling Point:	452.2±55.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³
Appearance:	Solid

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Related Functional Groups

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Halides

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[98447-30-4]
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Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823402-59-0]
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-73-8]
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Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.0126017
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.0126017
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5