Boc-&#946;-(3-benzothienyl)-<SC>D</SC>-Ala-OH , ≥97.0%(HPLC) , 111082-76-9

Synonym(s):
Boc-3-(3-benzothienyl)-D-alanine

CAS NO.：111082-76-9

Empirical Formula: C16H19NO4S

Molecular Weight: 321.39

MDL number: MFCD00079679

PRODUCT Properties

• Melting point: 63-67 °C(Solv: ethanol (64-17-5))
• Boiling point: 514.1±45.0 °C(Predicted)
• Density: 1.274±0.06 g/cm3(Predicted)
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• pka: 3.85±0.10(Predicted)
• Appearance: Off-white to light brown Solid
• BRN: 8995535
• InChI: InChI=1/C16H19NO4S/c1-16(2,3)21-15(20)17-12(14(18)19)8-10-9-22-13-7-5-4-6-11(10)13/h4-7,9,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/s3
• InChIKey: MURVSBJYXHTRJQ-PLAQIDKDNA-N
• SMILES: C12C=CC=CC=1SC=C2C[C@H](C(=O)O)NC(=O)OC(C)(C)C |&1:10,r|
• CAS DataBase Reference: 111082-76-9(CAS DataBase Reference)

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
• Hazard Codes: Xi
• WGK Germany: 3
• F: 10-23
• HazardClass: IRRITANT
• HS Code: 2934999090