CAS No.: 1967-16-4 — Chlorbufam (氯炔灵)

1. Primary Information

English name:	Chlorbufam
CAS No.:	1967-16-4
Molecular formula:	C₁₁H₁₀ClNO₂
Molecular weight:	223.65 g/mol
SMILES:	CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
Structural class:
Other identifiers:	1-butyn-3-yl 3-chlorophenylcarbamate chlorbufam

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	120	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	360	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	76	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 1 0 0 0 0 0999 V2000 -5.0500 1.4348 0.6155 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 0.9895 -0.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -1.0841 -0.6365 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 0.7192 -0.0437 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 0.1801 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 0.4882 -0.4424 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4094 0.9835 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 -1.1632 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 0.4436 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 -1.7030 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -0.8996 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 0.0877 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 1.6229 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 -0.6027 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 -1.4969 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 0.1259 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 2.0312 0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7003 -1.8460 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 1.7042 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9343 -2.7488 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -1.3339 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5502 1.2842 -0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 2.0510 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2893 2.4359 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -2.2901 1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 19 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 3 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

but-3-yn-2-yl N-(3-chlorophenyl)carbamate

4.2 InChI

InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)

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)