ChemicalBook CAS DataBase List 1123-54-2

1123-54-2

Name	1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine
CAS	1123-54-2
EINECS(EC#)	214-375-5
Molecular Formula	C4H4N6
MDL Number	MFCD00005697
Molecular Weight	136.11
MOL File	1123-54-2.mol

Synonyms

1h-1,2,3-triazolo[4,5-d]pyrimidin-7-amine 6-Amino-8-azapurine 7-amino-1h-triazolo[4,5-d]pyrimidine 8-AZA-6-AMINOPURINE 8-AZAADENINE 1H-v-Triazolo(4,5-d)pyrimidin-7-amine 1H-v-Triazolo(4,5-d)pyrimidine, 7-amino- 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-7-amine 3H-N-Triazolo(4,5-d)pyrimidin-7-amine 7-Amino-1H-v-triazolo(4,5-d)pyrimidine 7-Amino-1-v-triazolo(d)pyrimidine 7-Amino-v-triazolo(d)pyrimidine 8-Azapurine, 6-amino- Adenine, 8-aza- 8-AZAADENINE CRYSTALLINE 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine (9CI) 8-AZAADENINE 99-100% H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-7-AMINE 6-azaadenine 6-Amino-8-azapurine, 8-Aza-6-aminopurine

Chemical Properties

Melting point	>300 °C(lit.)
Boiling point	240.36°C (rough estimate)
density	1.3184 (rough estimate)
refractive index	1.8750 (estimate)
storage temp.	2-8°C
solubility	DMSO (Slightly), Methanol (Very Slightly, Heated, Sonicated)
form	Solid
pka	12.81±0.20(Predicted)
color	White to Off-White
InChI	InChI=1S/C4H4N6/c5-3-2-4(7-1-6-3)9-10-8-2/h1H,(H3,5,6,7,8,9,10)
InChIKey	HRYKDUPGBWLLHO-UHFFFAOYSA-N
SMILES	C1=NC(N)=C2N=NNC2=N1
CAS DataBase Reference	1123-54-2(CAS DataBase Reference)
NIST Chemistry Reference	8-Azaadenine(1123-54-2)
EPA Substance Registry System	1123-54-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P261-P305+P351+P338
WGK Germany	3
RTECS	XZ5680000
F	10-23
TSCA	TSCA listed
HazardClass	IRRITANT
HS Code	2933998090
Toxicity	mouse,LD50,intraperitoneal,315mg/kg (315mg/kg),Pharmaceutical Chemistry Journal Vol. 11, Pg. 224, 1977. less more

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1123-54-2

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