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5743-18-0

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Basic Information
CAS No.: 5743-18-0
Name: caffeine hydrobromide
Molecular Structure:
Molecular Structure of 5743-18-0 (caffeine hydrobromide)
Formula: C8H10 N4 O2 . Br H
Molecular Weight: 275.14
Synonyms: 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-, monohydrobromide (9CI); Caffeine,monohydrobromide (8CI); Caffeine bromide; Caffeine hydrobromide
Density: g/cm3
Boiling Point: 435.8°Cat760mmHg
Flash Point: 217.4°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. See also CAFFEINE and BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and HBr.
PSA: 61.82000
LogP: -0.07120
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Chemistry

IUPAC Name: 1,3,7-Trimethyl-7H-purin-7-ium-2,6-dione bromide 
Molecular Formula: C8H10N4O2•BrH
Molecular Weight: 275.14g/mol
EINECS: 227-258-9
Boiling Point: 435.8°C at 760mmHg
Flash Point: 217.4°C 
Freely Rotating Bonds: 0
Polar Surface Area: 53.51 Å2 
Enthalpy of Vaporization: 71.35 kJ/mol
Vapour Pressure: 4.01E-08 mmHg at 25°C
The Cas Register Number  of Caffeine hydrobromide is 5743-18-0.The chemical synonyms of Caffeine hydrobromide (CAS NO.5743-18-0) are Caffeine bromide ; Caffeine hydrobromide ; Caffeine, monohydrobromide ; LS-48598 ; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, monohydrobromide ; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrobromide ; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrobromide (9CI) .The molecular structure of Caffeine hydrobromide (CAS NO.5743-18-0) is.

Uses

 Caffeine hydrobromide (CAS NO.5743-18-0) is used as pharmaceutical intermediate .

Toxicity Data With Reference

1.    

orl-rbt LDLo:400 mg/kg

     HBAMAK    “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.” 4 (1935),1289.
2.    

scu-rbt LDLo:150 mg/kg

     HBAMAK    “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.” 4 (1935),1289.
3.    

ivn-rbt LDLo:100 mg/kg

     HBAMAK    “Abdernaldens Handbuch der Biologischen Arbeitsmethoden.” 4 (1935),1289.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. See also CAFFEINE and BROMIDES. When heated to decomposition it emits very toxic fumes of NOx and HBr.

Specification

Its extinguishing agent are  water, dry powder, carbon dioxide and foam.