CAS No.: 76639-93-5 — Florfenicol amine (-)

1. Primary Information

English name:	Florfenicol amine
CAS No.:	76639-93-5
Molecular formula:	C₁₀H₁₄FNO₃S
Molecular weight:	247.29 g/mol
SMILES:	CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O
Structural class:
Other identifiers:	florfenicol amine Sch 40458 Sch-40458

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/mL	400	-20℃	in stock	-
Kehua Intelligence	10mg	HPLC≥98%	921	2-8℃	in stock	-
Kehua Intelligence	1mg	CP：98%，atom：98%	2560	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 30 0 1 0 0 0 0 0999 V2000 3.6359 -0.0910 -0.0999 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4225 -2.1017 0.3926 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 2.0393 0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1204 0.9182 -1.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 -0.1964 1.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5715 0.3051 -0.4313 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 0.6292 0.4829 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1534 -0.0010 -0.6579 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8250 0.4474 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 0.1169 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 -0.1590 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 0.8924 -0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -1.5184 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -0.3255 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 0.7258 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 -1.6813 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6487 0.2207 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 0.4526 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 -0.5093 2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 1.3769 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -1.9298 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 -1.8106 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8138 -0.8081 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 1.0736 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -0.1250 0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 -0.1182 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 2.1651 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -1.8719 -1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 -2.4445 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.6628 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 27 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(1R,2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol

4.2 InChI

InChI=1S/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-/m1/s1

4.3 InChIKey

XLSYLQDVLAXIKK-NXEZZACHSA-N

4.4 Canonical SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)N)O

4.5 Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@H]([C@@H](CF)N)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)