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Chlorpropham
CAS: 101-21-3 | C10H12ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-21-3
Molecular Formula:
C10H12ClNO2
Molecular Mass:
213.66 g/mol
Names and Synonyms:
Chlorpropham
Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester
Carbanilic acid, m-chloro-, isopropyl ester
Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester
Y 3
Chloro-IPC
Chloropropham
Chlorpropham
CI-IPC
CIPC
Elbanil
Isopropyl 3-chlorocarbanilate
Isopropyl N-(3-chlorophenyl)carbamate
Metoxon
Preventol 56
Triherbicide CIPC
Chlor IFC
Isopropyl m-chlorocarbanilate
Nexoval
Preventol
Liro CIPC
Chlor IPC
m-Chlorocarbanilic acid isopropyl ester
Furloe 3EC
Isopropyl N-(m-chlorophenyl)carbamate
Chlor IFK
Cl-IFK
Furloe
Bygran
Mirvale
Bud Nip
Keim-Stop
IPCPC
NSC 29466
Shield Potato Sprout Inhibitor
Neo Stop 5
Identifiers:
SMILES:
CC(C)OC(O)=Nc1cccc(Cl)c1
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)
Key Properties
Boiling Point
149 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
40.7-41.1 °C
CAS Common Chemistry
Density
1.18 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.66 g/mol | CAS Common Chemistry |
| 213.66400000000002 g/mol | RDKit | |
| 213.055656304 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.180 g/cm3 @ Temp: 30 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorpropham | CAS Common Chemistry |
| Boiling Point | 149 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)NC=1C=CC=C(Cl)C1 | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=CWJSHJJYOPWUGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40.7-41.1 °C | CAS Common Chemistry |
| Name | Chlorpropham | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 3.310500000000002 | RDKit |
| Molar Refractivity | 57.396800000000034 | RDKit |
