CAS No.: 101-21-3 — Chlorpropham (氯苯胺灵)

1. Primary Information

English name:	Chlorpropham
CAS No.:	101-21-3
Molecular formula:	C₁₀H₁₂ClNO₂
Molecular weight:	213.66 g/mol
SMILES:	CC(C)OC(=O)NC1=CC(=CC=C1)Cl
Structural class:
Other identifiers:	Chlorpropham CIPC Isopropyl N-(3-Chlorophenol)carbamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	HPLC≥98%	128	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	5g	≥98%	48	2-8℃	in stock	-
Kehua Intelligence	25g	≥98%	132	2-8℃	in stock	-
Kehua Intelligence	100g	≥98%	432	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 4.5925 1.7643 0.2368 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 0.5664 -0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -1.4800 -0.3901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 0.5161 -0.2746 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8183 0.0579 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -0.2535 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 1.0770 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 0.0924 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 -0.2572 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 1.0310 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 -1.2704 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 0.6067 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -1.6947 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -0.7560 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 -0.8577 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 -0.5391 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -1.0753 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 0.6168 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 0.7148 0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 1.2952 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 2.0264 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.5230 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 2.0940 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5312 -2.0545 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -2.7557 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6446 -1.1013 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

propan-2-yl N-(3-chlorophenyl)carbamate

4.2 InChI

InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)

4.3 InChIKey

CWJSHJJYOPWUGX-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)OC(=O)NC1=CC(=CC=C1)Cl

4.5 Isomeric SMILES

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)