CAS No.: 188425-85-6 — Boscalid (-)

1. Primary Information

English name:	Boscalid
CAS No.:	188425-85-6
Molecular formula:	C₁₈H₁₂Cl₂N₂O
Molecular weight:	343.2 g/mol
SMILES:	C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl
Structural class:
Other identifiers:	2-chloro-N-(4-chlorobiphenyl-2-yl)nicotinamide boscalid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥99%	160	2-8℃	in stock	-
Kehua Intelligence	1mg	CP：98%，atom：98%	3200	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	121	2-8℃,避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	371	2-8℃，避光	in stock	-
Kehua Intelligence	1g	98%	56	2-8℃	in stock	-
Kehua Intelligence	5g	98%	168	2-8℃	in stock	-
Kehua Intelligence	25g	98%	720	2-8℃	in stock	-
Kehua Intelligence	100g	98%	2400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 37 0 0 0 0 0 0 0999 V2000 2.5803 4.8660 -0.2263 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 0.6928 2.2262 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -2.5836 -0.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -0.9395 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 1.5606 0.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0581 -1.0656 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 -1.6870 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 0.3751 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 -1.8424 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -3.0783 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 1.0292 -1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 1.1097 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -3.2337 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 -3.8515 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -1.4127 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -0.3644 -0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3773 2.4179 -1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 2.4984 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 3.1526 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 -0.3768 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 0.5956 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5865 0.6000 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 1.5374 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -1.3792 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 -3.6408 0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 0.0704 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 0.4717 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 0.6154 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 -3.8359 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8093 -4.9350 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 2.9144 -2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3983 3.0578 1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -1.1241 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2823 0.6271 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 2.3203 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 21 1 0 0 0 0 5 23 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 18 2 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide

4.2 InChI

InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)

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)