CAS No.: 81777-89-1 — Clomazone (异噁草酮)

1. Primary Information

English name:	Clomazone
CAS No.:	81777-89-1
Molecular formula:	C₁₂H₁₄ClNO₂
Molecular weight:	239.70 g/mol
SMILES:	CC1(CON(C1=O)CC2=CC=CC=C2Cl)C
Structural class:
Other identifiers:	2-(2-chlorophenyl)methyl-4,4-dimethyl-3-isoxazolidinone clomazone Command herbicide dimethazone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in 甲醇	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in 甲醇	264	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	264	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃	in stock	-
Kehua Intelligence	100mg	99%	1232	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 -1.4069 -2.5664 0.0702 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.5035 -0.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 -1.8016 -0.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 0.1696 -0.6556 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 0.2451 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 1.6269 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 -0.6205 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -0.0311 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 0.0443 1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3281 -0.1012 -1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 0.0643 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 -0.9998 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.3180 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2964 -0.8079 0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 1.5098 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9048 0.4470 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 2.4119 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 1.9207 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 0.0355 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 0.6852 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6373 -1.0395 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 0.7286 2.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 0.2159 2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 -0.9805 2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.0996 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 0.5964 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7608 2.1553 -1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 -1.6258 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8215 2.4870 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 0.5966 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

4.2 InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

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)