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ChemicalBook--->CAS DataBase List--->85-18-7

85-18-7

85-18-7 Structure

85-18-7 Structure
IdentificationMore
[Name]

8-Chlorotheophylline
[CAS]

85-18-7
[Synonyms]

8-CHLORO-1,3-DIMETHYL-2,6(1H,3H)-PURINEDIONE
8-CHLORO-1,3-DIMETHYL-2,6-PURINEDIONE
8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
8-CHLORO-1,3-DIMETHYLXANTHINE
8-CHLOROTHEOPHYLLINE
AKOS BBS-00006435
LABOTEST-BB LT00138074
1,3-Dimethyl-8-chloroxanthine
8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione
8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione
8-chloro-theophyllin
Theophylline, 8-chloro-
8-Chlorothephyline
Theoclate
chlorotheophylline
8-Chloro-1,3-dimethyl-7H-purine-2,6-dione
H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-
1,3-Dimethyl-8-chloro-9H-purine-2,6(1H,3H)-dione
8-Chloro-1,2,3,6-tetrahydro-1,3-dimethyl-7H-purine-2,6-dione
[EINECS(EC#)]

201-590-4
[Molecular Formula]

C7H7ClN4O2
[MDL Number]

MFCD00005581
[Molecular Weight]

214.61
[MOL File]

85-18-7.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Iodine-->Caffeine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione(85-18-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

8-Chlorotheophylline is a stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.
[Definition]

ChEBI: 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.
[Purification Methods]

It crystallises from H2O or EtOH (m 304o, dec). The choline salt crystallises from H2O with m 60-62o (2 H2O) and m 97-99o (anhydrous). [Beilstein 26 H 473, II 276, 26 III/IV 2442.]
Spectrum DetailBack Directory
[Spectrum Detail]

8-Chlorotheophylline(85-18-7)MS
8-Chlorotheophylline(85-18-7)IR1
8-Chlorotheophylline(85-18-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

8-Chlorotheophylline, 99%(85-18-7)
[Sigma Aldrich]

85-18-7(sigmaaldrich)
[TCI AMERICA]

8-Chlorotheophylline,>98.0%(T)(85-18-7)
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