کافئین 102584 مرک merck

Description
Catalogue Number	102584
Synonyms	7-Methyltheobromine, 1,3,7-Trimethylxanthine, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Product Information
CAS number	58-08-2
EC index number	613-086-00-5
EC number	200-362-1
Grade	Ph Eur,BP,USP
Hill Formula	C₈H₁₀N₄O₂
Molar Mass	194.19 g/mol
HS Code	2939 30 00
Structure formula Image

Physicochemical Information
Density	1.23 g/cm3 (18 °C)
Ignition temperature	>600 °C
Melting Point	235 - 239 °C
pH value	5.5 - 6.5 (10 g/l, H₂O, 20 °C)
Vapor pressure	20 hPa (80 °C)
Bulk density	220 kg/m3
Solubility	20 g/l

Toxicological Information
LD 50 oral	LD50 Rat 367.7 mg/kg

Safety Information according to GHS
Hazard Pictogram(s)
Hazard Statement(s)	H302: Harmful if swallowed.
Signal Word	Warning
Storage class	10 - 13 Other liquids and solids
WGK	WGK 1 slightly water endangering
Disposal	3 Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C.

Safety Information
Hazard Symbols	Harmful
Categories of danger	harmful
R Phrase	R 22 Harmful if swallowed.

Storage and Shipping Information
Storage	Store at +15°C to +25°C.

Transport Information
Declaration (railroad and road) ADR, RID	Kein Gefahrgut
Declaration (transport by air) IATA-DGR	No Dangerous Good
Declaration (transport by sea) IMDG-Code	No Dangerous Good

Specifications
Assay (perchloric acid titration, calculated on dried substance)	98.5 - 101.0 %
Assay (HPLC)	98.5 - 101.0 %
Identity	passes test
Appearance of solution (1 %; water)	passes test
Acidic substances	passes test
Sulphate (SO₄)	≤ 0.0500 %
Fe (Iron)	≤ 130 ppm
Heavy metals (as Pb)	≤ 0.001 %
Chloroform (HS-GC)	≤ 60 ppm
Related substances (HPLC, EP) (Highest single impurity)	≤ 0.10 %
Related substances (HPLC, EP) (Sum of all impurities)	≤ 0.1 %
Chromatographic purity (USP) (Highest single impurity)	≤ 0.10 %
Chromatographic purity (USP) (Sum of all impurities)	≤ 0.1 %
Theophylline (HPLC)	≤ 0.10 %
Other residual solvents (Ph.Eur./USP/ICH)	excluded by production process
Sulfated ash	≤ 0.1 %
Loss on Drying (105°C)	≤ 0.5 %
Elemental impurity specifications have been set considering ICH Q3D (Guideline for Elemental Impurities). Class 1-3 elements are not likely to be present above the ICH Q3D option 1 limit, unless specified and indicated (*).
Corresponds to Ph Eur, BP, USP