1H-Purine-2,6-dione,3,7,8,9-tetrahydro-1,3,9-trimethyl-8-thioxo-
- 中文别名：1,3,9-三甲基-8-硫代-7H-嘌呤-2,6-二酮
- 英文别名：1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione;
Isocaffeine,8-mercapto;
1,3,9-trimethyl-8-thio-uric acid;
8-Mercaptoisocaffeine;
1,3,9-Trimethyl-8-thio-harnsaeure;
8-Thiol-iso-caffeine;
Uric acid,3,9-trimethyl-8-thio;
Iso-caffeine
- CAS No.：2564-54-7
- 分子式：
C8H10N4O2S
- 分子量：226.2556
- 精确分子量：226.05200
- PSA：96.81000
- InChI：The Key: ULPYQIHKMUDZLR-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.57g/cm3
- 沸点：
- 300.6ºC at 760mmHg
- 闪点：
- 135.6ºC
- 折射率：
- 1.726
- 蒸汽压：
- 0.00111mmHg at 25°C
安全信息
- 密度：
- 1.57g/cm3
- 沸点：
- 300.6ºC at 760mmHg
- 闪点：
- 135.6ºC
- 折射率：
- 1.726
- 蒸汽压：
- 0.00111mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NQ5850000
- CHEMICAL NAME :
- Isocaffeine, 8-mercapto-
- CAS REGISTRY NUMBER :
- 2564-54-7
- LAST UPDATED :
- 197902
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-N4-O2-S
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04386
