Caffeine
SIAL/C8960 - BioXtra
Synonym: 1,3,7-
CAS Number: 58-08-2
Empirical Formula (Hill Notation): C8H10N4O2
Molecular Weight: 194.19
EC Number: 200-362-1
MDL Number: MFCD00005758
Linear Formula: C8H10N4O2
Product Type: Chemical
| anion traces | chloride (Cl-): ≤0.05% |
| sulfate (SO42-): ≤0.05% | |
| cation traces | Al: ≤0.0005% |
| Ca: ≤0.001% | |
| Cu: ≤0.0005% | |
| Fe: ≤0.0005% | |
| K: ≤0.005% | |
| Mg: ≤0.001% | |
| Na: ≤0.005% | |
| NH4+: ≤0.05% | |
| Pb: ≤0.001% | |
| Zn: ≤0.0005% | |
| form | powder |
| ign. residue | ≤0.1% |
| impurities | ≤0.0005% Phosphorus (P) |
| ≤0.1% Insoluble matter | |
| InChI | 1S/C8H10N4O2/c1-10-4-9-6- |
| InChI key | RYYVLZVUVIJVGH-UHFFFAOYSA |
| mp | 234-236.5 °C (lit.) |
| product line | BioXtra |
| Quality Level | 200 ![]() |
| SMILES string | CN1C(=O)N(C)c2ncn(C)c2C1= |
| solubility | chloroform: 0.5 M, clear, colorless |
| Packaging: | 1 kg in poly drum |
| Packaging: | 250 g in poly bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P301 + P312 + P330 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 1 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| mp | 234-236.5 °C (lit.) |
| UNSPSC | 12352210 |


