ChemicalBook--->CAS DataBase List--->53994-69-7

53994-69-7

53994-69-7 Structure

53994-69-7 Structure
IdentificationMore
[Name]

7-Amino-3-chloro cephalosporanic acid
[CAS]

53994-69-7
[Synonyms]

7-AMINO-3-CHLORO-3-CEPHEM-4-CARBOXYLIC ACID
7-AMINO-3-CHLORO-8-OXO-5-THIA-1-AZA-BICYCLO-[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
7-AMINO-3-CHLORO CEPHALOSPORANIC ACID
ANCA
7-amino-3-chloro-8-oxo-,(6R,7R)-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid
(6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-amino-3-coloro-3-cephem-4-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-chloro-8-oxo-,(6R,7R)-
(6R,6β)-7α-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid
3-Chloro-7β-aminocepham-3-ene-4-carboxylic acid
[EINECS(EC#)]

258-907-4
[Molecular Formula]

C10H12ClN2O5S
[MDL Number]

MFCD03650764
[Molecular Weight]

307.73
[MOL File]

53994-69-7.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

7-Amino-3-chloro cephalosporanic acid is used as an intermediate in the preparation of semi-synthetic cephalosprin antibiotics.
Spectrum DetailBack Directory
[Spectrum Detail]

7-Amino-3-chloro cephalosporanic acid(53994-69-7)1HNMR
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