53994-69-7

Name 7-Amino-3-chloro cephalosporanic acid
CAS 53994-69-7
EINECS(EC#) 258-907-4
Molecular Formula C10H12ClN2O5S
MDL Number MFCD03650764
Molecular Weight 307.73
MOL File 53994-69-7.mol
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Chemical Properties

Melting point  >180°C (dec.)
Boiling point  498.9±45.0 °C(Predicted)
density  1.81±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,2-8°C
solubility  Aqueous Acid (Slightly, Heated), DMSO (Slightly, Heated, Sonicated)
form  Solid
pka 1.87±0.50(Predicted)
color  Pale Yellow
InChI InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1
InChIKey OQSAFIZCBAZPMY-AWFVSMACSA-N
SMILES N12[C@@]([H])([C@H](N)C1=O)SCC(Cl)=C2C(O)=O
CAS DataBase Reference 53994-69-7(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
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
REACH Registrations Active
HazardClass  IRRITANT

Hazard Information

Spectrum Detail

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