ChemicalBook--->CAS DataBase List--->4444-26-2

4444-26-2

4444-26-2 Structure

4444-26-2 Structure
IdentificationBack Directory
[Name]

1,2,3,4,5,6-Benzenehexamine-3HCl
[CAS]

4444-26-2
[Synonyms]

1,2,3,4,5,6-Benzenehexamine
benzene-1,2,3,4,5,6-hexamine
Benzene-1,2,3,4,5,6-hexaamine
1,2,3,4,5,6-Benzenehexamine-3HCl
Hexaaminobenzene trihydrochloride
1,2,3,4,5,6-Benzenehexamine-3HCl ISO 9001:2015 REACH
[Molecular Formula]

C6H12N6
[MDL Number]

MFCD00822545
[MOL File]

4444-26-2.mol
[Molecular Weight]

168.2
Chemical PropertiesBack Directory
[Melting point ]

255 °C (decomp)
[Boiling point ]

469.2±40.0 °C(Predicted)
[density ]

1.631±0.06 g/cm3(Predicted)
[pka]

6.51±0.50(Predicted)
[InChI]

InChI=1S/C6H12N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H2
[InChIKey]

OWSZUKMVEBFJMZ-UHFFFAOYSA-N
[SMILES]

C1(N)=C(N)C(N)=C(N)C(N)=C1N
[CAS DataBase Reference]

4444-26-2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Hazard InformationBack Directory
[Uses]

1,2,3,4,5,6-Benzenehexamine is used as a reagent in the preparation of 2-(benzimidazol-2-yl)quinoxalines as selective antagonists at human A1 and A3 adenosine receptors.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 51, p. 3904, 1986 DOI: 10.1021/jo00370a032
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