5-Fluoro-2-(1H-tetrazol-1-yl)aniline - CAS 869942-04-1

Catalog:	BB049694
Product Name:	5-Fluoro-2-(1H-tetrazol-1-yl)aniline
CAS:	869942-04-1
Synonyms:	5-fluoro-2-(1,2,3,4-tetraazolyl)phenylamine

Technical Data

Computed Properties

IUPAC Name:	5-fluoro-2-(tetrazol-1-yl)aniline
Description:	5-Fluoro-2-(1H-tetrazol-1-yl)aniline (CAS# 869942-04-1 ) is a useful research chemical.
Molecular Weight:	179.15
Molecular Formula:	C7H6FN5
Canonical SMILES:	C1=CC(=C(C=C1F)N)N2C=NN=N2
InChI:	InChI=1S/C7H6FN5/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H,9H2
InChI Key:	HSOXEAYKALRKLH-UHFFFAOYSA-N
Boiling Point:	359.9±52.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

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[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
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2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
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Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[832741-29-4]
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[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.06072337
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.06072337
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6