IUPAC Name: Sodium 1,3,7-trimethylpurine-2,6-dione benzoate
Molecular Formula: C15H15N4NaO4
Transport information: 1544
Molecular Weight: 338.33g/mol
Flash Point: 205.9 °C
Boiling Point: 416.8 °C at 760 mmHg
Freely Rotating Bonds: 0
Polar Surface Area: 58.44 Å2
Enthalpy of Vaporization: 67.01 kJ/mol
Vapour Pressure: 3.72E-07 mmHg at 25°C
The Cas Register Number of Caffeine and sodium benzoate is 8000-95-1.The chemical synonyms of Caffeine and sodium benzoate (CAS NO.8000-95-1) are 1,3,7-Trimethylxanthine sodium benzoate ; 1,3,7-Trimethyl-2,6-dioxopurine sodium benzoate ; Caffeine-sodium benzoate ; Caffeine and sodium benzoate ; Coffeine sodium benzoate ; Guaranine sodium benzoate ; Methyltheobromine sodium benzoate ; Sodium caffeine benzoate .The molecular structure of Caffeine and sodium benzoate (CAS NO.8000-95-1) is.
Caffeine and sodium benzoate (CAS NO.8000-95-1) is used as pharmaceutical.
1. | orl-rat LD50:860 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,31. | ||
2. | orl-mus LD50:800 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,31. | ||
3. | ipr-mus LD50:525 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),343. |
Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also CAFFEINE and SODIUM BENZOATE.
Hazard Codes: Xn
Risk Statements: 22
R22: Harmful if swallowed.
Safety Statements: 36
S36: Wear suitable protective clothing.
HazardClass: 6.1(b)
Its extinguishing agent are water, dry powder, carbon dioxide and foam.
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