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7-Aminocephalosporanic Acid

7-Aminocephalosporanic Acid / CAS : 957-68-6

Appearance White or off white crystalline powder UN 0
HS 2918 2900 DG Class 0
Synonyms (6R,7S)-3-(Acetyloxymethyl)-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 7-ACA; 3-Acetoxymethylen-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 3-[(Acetyloxy)Methyl]-7-Amino-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; 7 Amino Cephalosporin acid; 7-Amino Cephalosporanic ACID
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Properties

Summary

Formula
C10H12N2O5S
Molecular Mass
272.28
Exact Mass
272.04700
PSA
135.23000
Logp
-0.23120
IUPAC
(6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
API & Intermediate > Antibiotics

Chemical and Physical Properties

Melting Point
>300 °C
Density
1.4667
Boiling Point
560.6±50.0 °C
Flash Point
292.9 °C
Appearance
White or off white crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
2918 2900
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R42/43-36/37/38-20/21/22
Safety Label
Xn,Xi

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