THEOBROMINE
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Molecular Structure
Other Information
- CAS Registry Number: 83-67-0
- Transport: OTH
- Melting Point: 290-295 ºC
- Boiling Point: Sublimes 290-295 deg C
- Density: 1.50
- Refractive index: 1.737
- Safety Statements: R22
- Hazard Symbols: Xn: Harmful;
- EINECS: 201-494-2
- Molecular Weight: 180.16402
- InchiKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
- InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,
13) - Risk Statements: S22;S24/25
- Molecular Formula: C7H8N4O2