ChemicalBook--->CAS DataBase List--->76639-93-5

76639-93-5

76639-93-5 Structure

76639-93-5 Structure
IdentificationBack Directory
[Name]

Sch 40458
[CAS]

76639-93-5
[Synonyms]

Sch 40458
florfenicol amine
Florfenicol amine Solution in Methanol, 100μg/mL
Florfenicol-d3 amine solution in methanol, 100μg/mL
D-(?)-threo-2-Amino-3-fluoro-1-[4-(methylsulfonyl)phenyl]-1-propanol
(αR)-α-[(1S)-1-Amino-2-fluoroethyl]-4-(methylsulfonyl)benzenemethanol
Benzenemethanol, α-[(1S)-1-amino-2-fluoroethyl]-4-(methylsulfonyl)-, (αR)-
[Molecular Formula]

C10H14FNO3S
[MDL Number]

MFCD19704818
[MOL File]

76639-93-5.mol
[Molecular Weight]

247.29
Chemical PropertiesBack Directory
[Boiling point ]

488.7±45.0 °C(Predicted)
[density ]

1.313±0.06 g/cm3(Predicted)
[form ]

neat
[pka]

10.90±0.45(Predicted)
[InChI]

InChI=1/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10-/s3
[InChIKey]

XLSYLQDVLAXIKK-DPIMBTEZNA-N
[SMILES]

[C@H](C1=CC=C(S(C)(=O)=O)C=C1)(O)[C@H](N)CF |&1:0,12,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

Florfenicol amine is the 4-methylsulphonophenylpropylamine parent compound formed by hydrolysing the dichloroacetamide of florfenicol. Florfenicol amine is a metabolite and degradation product of flofenicol. Florfenicol amine has no antibiotic activity but is an important standard for monitoring animal and environmental residues of florfenicol.
Spectrum DetailBack Directory
[Spectrum Detail]

Sch 40458(76639-93-5)1HNMR
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