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Propanil
CAS: 709-98-8 | C9H9Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
709-98-8
Molecular Formula:
C9H9Cl2NO
Molecular Mass:
218.08 g/mol
Names and Synonyms:
Propanil
Propanamide, N-(3,4-dichlorophenyl)-
Propionanilide, 3′,4′-dichloro-
N-(3,4-Dichlorophenyl)propanamide
Stam F 34
FW 734
N-(3,4-Dichlorophenyl)propionamide
3′,4′-Dichloropropionanilide
DPA
Propanil
Propionic acid 3,4-dichloroanilide
Rogue
Surcopur
Propanide
Stam
Stam LV 10
DCPA
Propanid
Synpran N
Chem Rice
Strel
Propagrin 36
Propanex
Stampede 360
Riverside propanil 60DF
Wham EZ
Stam 80EDF
Stam M 4
NSC 31312
Stam Novel Flo 480
Propasint
Riceshot
Stam 480EC
Identifiers:
SMILES:
CCC(O)=Nc1ccc(Cl)c(Cl)c1
InChI:
InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
Key Properties
Melting Point
85-89 °C
CAS Common Chemistry
Density
1.05 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 | 218.08 g/mol | CAS Common Chemistry |
| 218.08299999999997 g/mol | RDKit | |
| 217.006119268 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propanil | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C(Cl)=C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=LFULEKSKNZEWOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-89 °C | CAS Common Chemistry |
| Name | Propanil | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 3.9914000000000023 | RDKit |
| Molar Refractivity | 56.476800000000026 | RDKit |
