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Substance
ID:713370
Structure
Similarity
Functional Group
Text
ID:86
Caffeine
Alfa Aesar
ID: A10431
Names and Identifiers
Synonyms
咖啡因
Caffeine
1,3,7-Trimethylxanthine
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
IUPAC Traditional name
caffeine
IUPAC name
1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Registration numbers
MDL Number
MFCD00005758
Beilstein Number
17705
CAS Number
58-08-2
EC Number
200-362-1
Merck Index
141636
Properties
Safety Information
GHS Hazard statements
H302
GHS Precautionary statements
P264
-
P270
-
P301+P312
-
P330
-P501A
Risk Statements
22
Hazard Class
6.1
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
RTECS
EV6475000
Safety Statements
2
Packing Group
III
UN Number
UN1544
European Hazard Symbols
Harmful (X)
TSCA Listed
是
Physical Property
Density
1.230
Solubility
Soluble in pyrrole, THF-H2O mixture, ethyl acetate
Melting Point
234-236°C
Product Information
Purity
99%
Molecule Details
No Data Available
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Molecular Spectra
No Data Available
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References
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Names and Identifiers
Registration numbers
Properties
Molecule Details
Molecular Spectra
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