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85-18-7

Name 8-Chlorotheophylline
CAS 85-18-7
EINECS(EC#) 201-590-4
Molecular Formula C7H7ClN4O2
MDL Number MFCD00005581
Molecular Weight 214.61
MOL File 85-18-7.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  290 °C (dec.)(lit.)
Boiling point  455.0±55.0 °C(Predicted)
density  1.8869 (rough estimate)
refractive index  1.5560 (estimate)
storage temp.  Inert atmosphere,2-8°C
solubility  Soluble in sodium hydroxide.
pka pKa 5.28 (Uncertain)
Water Solubility  SLIGHTLY SOLUBLE
BRN  203068
CAS DataBase Reference 85-18-7(CAS DataBase Reference)
NIST Chemistry Reference 1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-(85-18-7)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S36:Wear suitable protective clothing .
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 .
RIDADR  2811
WGK Germany  3
RTECS  XH5063000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29395900

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