Specifications
- Purity
- ≥99% (HPLC)
- Identity
- 1H-NMR
- Appearance
- White to off-white solid
Properties
- Density
- 1.591 g/cm3
- Boiling Point
- 455° C
- Solvents
- sodium hydroxide, DMSO or methanol, water (0.3 g/l)
Downloads
- Safety Data Sheet
- CDX C0153 MSDS_Vs2.pdf
Available from stock
8-Chlorotheophylline
- SKU
- C0153
Category: API's & Intermediates
- Synonyms
- NSC 6113 , 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione
- 85-18-7
- CAS-Number
- C7H7ClN4O2
- Molecular Formula
- 214.61
- Molecular Weight
- Long Term Storage
- RT
- Use / Stability
- Stable for at least 2 years after receipt when stored at RT.
- Handling Advice
- Protect from light and moisture.
- Short Term Storage
- RT
- Shipping
- AMBIENT
- Transportation
- Not dangerous goods
- Signal word
- Warning
- GHS Symbol
- GHS07
- Precautionary statements
- P264 + P270
- Hazard statements
- H302
- Description
- Stimulant slightly ionotropic drug of the xanthine chemical class, with physiological effects similar to caffeine. It is combined with pharmaceutical drugs to form stable salts.
- InChi
- InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
- References
- (1) S.H. Snyder, et al.: PNAS 78, 3260 (1981)
- InChi Key
- RYIGNEOBDRVTHA-UHFFFAOYSA-N
- Smiles
- O=C(N1C)C2=C(NC(Cl)=N2)N(C)C1=O
Stimulant slightly ionotropic drug of the xanthine chemical class, with physiological effects similar to caffeine. It is combined with pharmaceutical drugs to form stable salts.
Additional information
| Synonyms | NSC 6113, 8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione |
|---|---|
| Purity | ≥99% (HPLC) |
| Appearance | White to off-white solid |
| CAS-Number | 85-18-7 |
| Molecular Formula | C7H7ClN4O2 |
| Molecular Weight | 214.61 |
| Identity | 1H-NMR |
| Solvents | sodium hydroxide, DMSO or methanol, water (0.3 g/l) |
| Boiling Point | 455° C |
| Density | 1.591 g/cm3 |
| Smiles | O=C(N1C)C2=C(NC(Cl)=N2)N(C)C1=O |
| InChi Key | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| Shipping | AMBIENT |
| Short Term Storage | RT |
| Long Term Storage | RT |
| Handling Advice | Protect from light and moisture. |
| Use / Stability | Stable for at least 2 years after receipt when stored at RT. |
| Hazard statements | H302 |
| Precautionary statements | P264 + P270 |
| GHS Symbol | GHS07 |
| Signal word | Warning |
| Transportation | Not dangerous goods |
| References | (1) S.H. Snyder, et al.: PNAS 78, 3260 (1981) |
| InChi | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| Quantity | 100 g, 1 kg, Bulk |
