Other names: trimethylxanthine, trimethylxanthine, caffeine, tea poison, Madeleine, Guarana factor, methyl theobromine. Molecular formula: C8H 10N4O2.
SMILES:O = C 1 C2 = C(N = CN2C)N(C(= O)N 1C)C
Molar mass: 194. 19 g mol? 1
Appearance: odorless, white needle-like or powdery solid.
Si Nuo. : [58-08-2]
Density and phase state: 1.2 g/cm? , solid
Water solubility: slightly soluble
Other solvents: soluble in ethyl acetate, chloroform, pyrimidine, pyrrole and tetrahydrofuran; Generally soluble in alcohol and acetone; Slightly soluble in petroleum ether, ether and benzene.
Melting point: 237 degrees Celsius.
Boiling point: 178℃ (sublimation)
Acidity coefficient: (PKA)10.4 (40 c)
Inhalation, swallowing and skin absorption can be fatal.
Flash point: not applicable
RTECS number: EV6475000
Caffeine is an alkaloid extracted from tea and coffee fruits. Moderate use can eliminate fatigue and excite nerves, and is clinically used to treat neurasthenia and coma resuscitation. However, large doses or long-term use can also cause harm to the human body, especially addiction. Once it is stopped, it will cause various withdrawal symptoms such as mental fatigue, fatigue and weakness. Although its addiction is weak, the withdrawal symptoms are not very serious. However, when the drug dose increases due to drug tolerance, caffeine will not only act on the cerebral cortex, but also directly excite the medulla oblongata, causing paroxysmal convulsions and skeletal tremor, and damaging important internal organs such as liver, stomach and kidney. Therefore, it is also included in the scope of psychotropic drugs controlled by the state. [2]
Caffeine abuse usually takes two forms: smoking and injection, and its excitability, side effects, symptoms and drug dependence are similar to those of amphetamine.
China has cracked many cases in which domestic and foreign drug dealers colluded to smuggle caffeine out of the "Golden Triangle" region. At present, the legal production of caffeine in China is greater than the legal demand, and it is more serious to flow into illegal channels.
chemical property
Caffeine belongs to the alkaloid of methylxanthine. Pure caffeine is a white, bitter powder. Its chemical formula is C8H 10N4O2. Its chemical name is 1, 3,7-trimethyl xanthine or 3,7-dihydro-1, 3,7 trimethyl-1H- purine-2,6-dione. Molecular weight, 194.438+09
physical features
White powder or hexagonal prism crystal, melting point 238, 178, sublimation. Dissolve 1g in 46ml water, 5.5ml 80 water, 1.5ml boiling water, 66ml ethanol, 22ml 60 ethanol, 50ml acetone and 5.5ml chloroform. IRνmax cm - 1: 3 100，2970， 1700， 1660， 1550， 1480， 1360， 1240， 1020，980，750，6 10； uvλMeOHmax nm(ε):272(85 10)； Nuclear magnetic resonance (CDCl3) δ: 3.4, 3.6, 4.0, 7.6; MSm/e: 194 ( 100)，67 (66)， 109 (66)，55 (44)，82 (39)，42 (28)，40 ( 18)，4 1 ( 16).