68-94-0

Name 6-Hydroxypurine
CAS 68-94-0
EINECS(EC#) 200-697-3
Molecular Formula C5H4N4O
MDL Number MFCD00005725
Molecular Weight 136.11
MOL File 68-94-0.mol

Chemical Properties

Appearance White to off-white powder
Melting point  >300 °C (lit.)
Boiling point  250.36°C (rough estimate)
density  1.4295 (rough estimate)
refractive index  1.8500 (estimate)
storage temp.  2-8°C
solubility  1 M NaOH: 25 mg/mL
form  powder
pka 8.7(at 25℃)
color  Colorless to yellow to brown, darken on storage with no loss of purity
Odor Odorless
biological source synthetic (organic)
Water Solubility  practically insoluble
Specific Heat Capacity Cp(crystal):0.988171J/(g·K),at 25℃
Merck  14,4869
BRN  5811
InChI 1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES O=C1NC=Nc2nc[nH]c12
LogP -0.910 (est)
CAS DataBase Reference 68-94-0(CAS DataBase Reference)
NIST Chemistry Reference Hypoxanthine(68-94-0)
EPA Substance Registry System 68-94-0(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Hazard Codes  Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  UP0791000
Hazard Note  Harmful
TSCA  Yes
REACH Registrations Active
HS Code  29335900
Storage Class 11 - Combustible Solids
Safety Profile
Moderately toxic by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of Nox
Toxicity
LD50 intraperitoneal in mouse: 750mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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