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Molecule
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
Identifiers
CAS Registry Number
709-98-8
SMILES
CCC(O)=Nc1ccc(Cl)c(Cl)c1
InChI Key
LFULEKSKNZEWOE-UHFFFAOYSA-N
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)
Names and Synonyms
- Propanil Synonym
- Propanamide, N-(3,4-dichlorophenyl)- Synonym
- Propionanilide, 3′,4′-dichloro- Synonym
- N-(3,4-Dichlorophenyl)propanamide Synonym
- Stam F 34 Synonym
- FW 734 Synonym
- N-(3,4-Dichlorophenyl)propionamide Synonym
- 3′,4′-Dichloropropionanilide Synonym
- DPA Synonym
- Propanil Synonym
- Propionic acid 3,4-dichloroanilide Synonym
- Rogue Synonym
- Surcopur Synonym
- Propanide Synonym
- Stam Synonym
- Stam LV 10 Synonym
- DCPA Synonym
- Propanid Synonym
- Synpran N Synonym
- Chem Rice Synonym
- Strel Synonym
- Propagrin 36 Synonym
- Propanex Synonym
- Stampede 360 Synonym
- Riverside propanil 60DF Synonym
- Wham EZ Synonym
- Stam 80EDF Synonym
- Stam M 4 Synonym
- NSC 31312 Synonym
- Stam Novel Flo 480 Synonym
- Propasint Synonym
- Riceshot Synonym
- Stam 480EC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Propanil | CAS Common Chemistry |
| Molecular Mass | 218.08 g/mol | CAS Common Chemistry |
| 218.08299999999997 g/mol | RDKit | |
| 218.083 g/mol | RDKit | |
| 218.077 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 @ 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 |
| 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 |
| 3.9914 | RDKit | |
| Molar Refractivity | 56.476800000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 217.006119268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 218.08 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
