CAS No.: 61213-25-0 — Flurochloridone (氟咯草酮)

1. Primary Information

English name:	Flurochloridone
CAS No.:	61213-25-0
Molecular formula:	C₁₂H₁₀Cl₂F₃NO
Molecular weight:	312.11 g/mol
SMILES:	C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl
Structural class:
Other identifiers:	3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone fluorochloridone flurochloridone raiser

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	96%	472	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 1 0 0 0 0 0999 V2000 -3.9364 0.6679 -1.6078 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4566 -1.9388 0.5499 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9872 -0.6151 -0.0934 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 -1.9634 0.9497 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 -1.8253 -1.2193 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 2.5004 0.2814 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 0.3718 0.1162 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -0.9353 0.4489 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5009 -0.9931 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 0.4783 0.0699 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1042 1.2804 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -2.0790 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 0.6990 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.3129 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7689 2.0344 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 0.0082 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 2.3554 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 1.3423 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -1.0750 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9206 -0.9863 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9368 -1.6917 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 -1.2779 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 0.8697 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 -3.0382 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -2.1180 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0501 -1.3619 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 2.8694 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4402 3.3940 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 1.6123 0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4.2 InChI

InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2

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)

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)