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87579-78-0

Name BENZHYDRYL 6,6-DIHYDROPENICILLIC ACID 1-OXIDE[TAZOBACTAM INTERMEDIATE]
CAS 87579-78-0
Molecular Formula C21H21NO4S
MDL Number MFCD11044527
Molecular Weight 383.46
MOL File 87579-78-0.mol
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Chemical Properties

Boiling point  598.7±50.0 °C(Predicted)
density  1.37
storage temp.  Sealed in dry,2-8°C
solubility  Dichloromethane
form  Solid
pka -3.44±0.60(Predicted)
color  Yellow
InChI InChI=1S/C21H21NO4S/c1-21(2)19(22-16(23)13-17(22)27(21)25)20(24)26-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-19H,13H2,1-2H3/t17-,19+,27?/m1/s1
InChIKey AZIUCAWYSMPKQK-HVHNRQALSA-N
SMILES N12[C@@]([H])(CC1=O)S(=O)C(C)(C)[C@@H]2C(OC(C1=CC=CC=C1)C1=CC=CC=C1)=O

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

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