8-Chlorotheophyline
Modify Date: 2025-08-25 14:21:03
8-Chlorotheophyline structure
|
Common Name | 8-Chlorotheophyline | ||
|---|---|---|---|---|
| CAS Number | 85-18-7 | Molecular Weight | 214.609 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 455.0±55.0 °C at 760 mmHg | |
| Molecular Formula | C7H7ClN4O2 | Melting Point | 290 °C (dec.)(lit.) | |
| MSDS | N/A | Flash Point | 229.0±31.5 °C | |
| Name | 8-chlorotheophylline |
|---|---|
| Synonym | More Synonyms |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 455.0±55.0 °C at 760 mmHg |
| Melting Point | 290 °C (dec.)(lit.) |
| Molecular Formula | C7H7ClN4O2 |
| Molecular Weight | 214.609 |
| Flash Point | 229.0±31.5 °C |
| Exact Mass | 214.025757 |
| PSA | 72.68000 |
| LogP | -0.42 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.631 |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O |
| Storage condition | Refrigerator |
| Water Solubility | SLIGHTLY SOLUBLE |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S36-S37/39-S26 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | XH5063000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2933990090 |
|
~%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: Chemische Berichte, , vol. 63, p. 2876,2877 |
|
~59%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: Mosselhi; Pfleiderer Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1221 - 1228 |
|
~99%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: Kuz'menko; Zvolinskaya Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 8 p. 963 - 970 |
|
~73%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: Kuz'menko; Zvolinskaya Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 8 p. 963 - 970 |
|
~%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: DE86562 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 1249 Chemische Berichte, , vol. 28, p. 3139 Chemische Berichte, , vol. 39, p. 430 |
|
~%
8-Chlorotheophyline CAS#:85-18-7 |
| Literature: Annali di Chimica (Rome, Italy), , vol. 47, p. 362,364 |
| Precursor 5 | |
|---|---|
| DownStream 10 | |
![4-[7-(2-Butynyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester structure](https://image.chemsrc.com/caspic/405/586408-02-8.png)
CAS#:586408-02-8
CAS#:57260-71-6![1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl] structure](https://image.chemsrc.com/caspic/062/1604-79-1.png)
CAS#:1604-79-1![8-[2-(Diphenylmethoxy)-N-Methylethylamino]-1,3-dimethylxanthine structure](https://image.chemsrc.com/caspic/476/33120-34-2.png)
CAS#:33120-34-2
CAS#:6501-67-3
CAS#:4638-03-3![7-((allyloxy)methyl)-1,3-dimethyl-6,7-dihydrooxazolo[2,3-f]purine-2,4(1H,3H)-dione structure](https://image.chemsrc.com/caspic/333/145072-22-6.png)
CAS#:145072-22-6
CAS#:4921-49-7
CAS#:6439-88-9| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
Name: Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat brain membrane...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL645324
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: ULK1_INH_LUMI_1536_1X%INH PRUN
|
|
Name: Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins
Source: ChEMBL
Target: Endochitinase A1
External Id: CHEMBL1291257
|
|
Name: Experimentally measured binding affinity data (Ki) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Ki for protein-ligand complexes
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
|
Name: Inhibition of [3H]PIA binding to Adenosine A1 receptor in rat brain membranes at 100 ...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL644908
|
|
Name: Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
Source: Southern Research Institute
Target: CFTR
External Id: CF Folding
|
|
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
|
|
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
|
Total 11, Current Page 1 of 2
1
2
| 8-chloro-1,3-dimethyl-7H-purine-2,6-dione |
| 8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| MFCD00005581 |
| 8-Chlorotheophylline |
| 8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione |
| CHLORTHEOPHYLLINE |
| EINECS 201-590-4 |
| UNII-GE2UA340FM |