Brucine, 99%, anhydrous, Thermo Scientific Chemicals

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 357-57-3
• Molecular Formula: C₂₃H₂₆N₂O₄
• Molecular Weight (g/mol): 394.46
• MDL Number: MFCD00005942
• InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N
• Synonym: brucine, anhydrous, brucine:strychnidin-10-one,2,3-dimethoxy
• PubChem CID: 51413923
• IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one
• SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

• Melting Point: 174.0°C to 179.0°C
• Color: White to Beige
• Loss on Drying: 1% max. (105°C, 3 hrs)
• Infrared Spectrum: Authentic
• Assay Percent Range: 99%
• Packaging: Glass bottle
• Quantity: 500 g
• Beilstein: 27, IV, 7876
• Merck Index: 15, 1464
• Specific Rotation Condition: −123° (20°C c=2.5,CCl₃)
• Specific Rotation: − 123.00
• Solubility Information: Solubility in water: slightly soluble. Other solubilities: soluble in alcohol, chloroform and benzene, slightly soluble in ether, glycerol and, ethyl acetate
• Formula Weight: 394.46
• Percent Purity: 99%
• Physical Form: Crystalline Powder
• Chemical Name or Material: Brucine, Anhydrous

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement: Fatal if swallowed. Harmful to aquatic life with long lasting effects. Fatal if inhaled.
Precautionary Statement	GHS P Statement: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Immediately call a POISON CENTER or doctor/physician. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Avoid release to the environment. WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.
EINECSNumber	206-614-7

SDS

RUO – Research Use Only