7-(2-Chloroethyl)theophylline (CAS 5878-61-5) — formula C9H11ClN4O2, molecular weight 242.66; category organic chemicals.
7-(2-Chloroethyl)theophylline (CAS 5878-61-5) is a chemical raw material in the organic chemicals category. Its molecular formula C9H11ClN4O2 comprises 9 C, 11 H, 1 Cl, 4 N, 2 O atoms. Its molecular weight is about 242.66. Reported physicochemical data: LogP about 0.1. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 5878-61-5 |
|---|---|
| Molecular Formula | C9H11ClN4O2 |
| Molecular Weight | 242.66 |
| LogP | 0.1 |
| Category | Organic Chemicals |
7-(2-Chloroethyl)theophylline is a carbon-based organic compound with CAS registry number 5878-61-5 and molecular formula C9H11ClN4O2 (molecular weight 242.66), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5878-61-5
Its molecular formula C9H11ClN4O2 comprises 9 C, 11 H, 1 Cl, 4 N, 2 O atoms.
Also known as: 7-(2-Chloroethyl)theophylline · 7-(2-氯乙基)茶碱
Category: organic chemicals
The CAS registry number of 7-(2-Chloroethyl)theophylline is 5878-61-5.
Molecular formula C9H11ClN4O2, molecular weight 242.66.
It is also registered under: 7-(2-Chloroethyl)theophylline, 7-(2-氯乙基)茶碱.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 7-(2-Chloroethyl)theophylline (CAS 5878-61-5), compiled from public chemistry databases.
| CAS Registry Number | 5878-61-5 |
|---|---|
| PubChem CID | 1882 |
| Molecular formula | C9H11ClN4O2 |
| IUPAC name | 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione |
| UNII (FDA) | Y7202UN6B7 |
| Molecular Weight | 242.66 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 242.0570533 |
| Monoisotopic Mass | 242.0570533 |
| Topological Polar Surface Area | 58.4 |
| Heavy Atom Count | 16 |
7-(2-Chloroethyl)theophylline; 5878-61-5; Benaphyllin; Eupnophile; 7-(Chloroethyl)theophylline; Theophylline, 7-(2-chloroethyl)-; beta-Chloroethyltheophylline; BENAPHYLLINE; 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-; Y7202UN6B7; NSC-337614; DTXSID80207510; RefChem:545030; DTXCID30130001; 227-553-2; 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
7-(2-Chloroethyl)theophylline · CAS 5878-61-5 · C9H11ClN4O2. UNII Y7202UN6B7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-(2-氯乙基)茶碱