Theophylline monohydrate (CAS 5967-84-0) — formula C7H8N4O2, molecular weight 180.16; category organic chemicals.
Theophylline monohydrate (CAS 5967-84-0) is a chemical raw material in the organic chemicals category. Its molecular formula C7H8N4O2 comprises 7 C, 8 H, 4 N, 2 O atoms. Its molecular weight is about 180.16. Reported physicochemical data: melting point around 522 to 525 °F (NTP, 1992), LogP about -0.02. 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 | 5967-84-0 |
|---|---|
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| Melting Point | 522 to 525 °F (NTP, 1992) |
| LogP | -0.02 |
| Applications | Transformation products, Tonic |
| Category | Organic Chemicals |
Documented applications: Transformation products, Tonic.
Theophylline monohydrate is a carbon-based organic compound with CAS registry number 5967-84-0 and molecular formula C7H8N4O2 (molecular weight 180.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5967-84-0
Its molecular formula C7H8N4O2 comprises 7 C, 8 H, 4 N, 2 O atoms.
Also known as: Theophylline monohydrate · 一水茶碱
Category: organic chemicals
The CAS registry number of Theophylline monohydrate is 5967-84-0.
Molecular formula C7H8N4O2, molecular weight 180.16.
It is also registered under: Theophylline monohydrate, 一水茶碱.
Recorded applications: Transformation products, Tonic.
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 Theophylline monohydrate (CAS 5967-84-0), compiled from public chemistry databases.
| CAS Registry Number | 5967-84-0 |
|---|---|
| PubChem CID | 2153 |
| Molecular formula | C7H8N4O2 |
| IUPAC name | 1,3-dimethyl-7H-purine-2,6-dione |
| UNII (FDA) | 0I55128JYK |
| Molecular Weight | 180.16 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.06472551 |
| Monoisotopic Mass | 180.06472551 |
| Topological Polar Surface Area | 69.3 |
| Heavy Atom Count | 13 |
| Melting Point | 522 to 525 °F (NTP, 1992) |
|---|---|
| Melting Point | 273 |
| Melting Point | 274 °C |
| Melting Point | 273 °C |
| Melting Point | 270-274 °C |
| Solubility | 1 to 5 mg/mL at 70.7 °F (NTP, 1992) |
| Solubility | 7360 |
| Solubility | In water, 7,360 mg/L at 25 °C |
| Solubility | 7.36 mg/mL at 25 °C |
| LogP | -0.02 |
theophylline; 58-55-9; 1,3-Dimethylxanthine; Elixophyllin; Theophyllin; Theolair; Nuelin; Theophylline anhydrous; Elixophylline; Lanophyllin; Pseudotheophylline; Respbid; Solosin; Theocin; Theo-dur; Liquophylline
| Regulatory & Food Contact | CIR / INCI: Cosmetic ingredients (Theophylline) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS notification summary | 0.3% (1 / 308) |
| GHS notification summary | 0.3% (1 / 308) |
|---|---|
| Reported hazard statements | H301 (88%), H302 (11.7%), H360, H402, H361, H362, H370, H372 |
H360D: May damage the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Theophylline monohydrate · CAS 5967-84-0 · C7H8N4O2. UNII 0I55128JYK. Melting Point: 522 to 525 °F (NTP, 1992); Melting Point: 273; Melting Point: 274 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 一水茶碱