Back to Search
Molecule
Butachlor
CAS: 23184-66-9 · C17H26ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23184-66-9
- Molecular Formula
- C17H26ClNO2
- Molecular Mass
- 311.85 g/mol
Identifiers
CAS Registry Number
23184-66-9
SMILES
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
InChI Key
HKPHPIREJKHECO-UHFFFAOYSA-N
InChI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
Names and Synonyms
- Butachlor Common Name
- Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)- Synonym
- Acetanilide, N-(butoxymethyl)-2-chloro-2′,6′-diethyl- Synonym
- N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide Synonym
- CP 53619 Synonym
- 2′,6′-Diethyl-N-butoxymethyl-2-chloroacetanilide Synonym
- 2′,6′-Diethyl-N-butoxymethyl-α-chloroacetanilide Synonym
- 2-Chloro-2′,6′-diethyl-N-(butoxymethyl)acetanilide Synonym
- Butachlor Synonym
- Machete Synonym
- Machete (herbicide) Synonym
- N-(Butoxymethyl)-2-chloro-2′,6′-diethylacetanilide Synonym
- Machette Synonym
- 2-Chloro-2′,6′-diethyl-N-(butoxymethyl)acetoanilide Synonym
- Butaclor Synonym
- Hiltachlor Synonym
- Delchlor Synonym
- Delchlor 5G Synonym
- Bilchlor Synonym
- NSC 221683 Synonym
- Machet Synonym
- Dingcaoan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 311.85 g/mol | CAS Common Chemistry |
| 311.85300000000007 g/mol | RDKit | |
| 311.853 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butachlor | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C(=CC=CC1CC)CC)COCCCC)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HKPHPIREJKHECO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-5 °C | CAS Common Chemistry |
| Name | Butachlor | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| 29.31 Ų | chempirical lib | |
| LogP | 4.1574000000000035 | RDKit |
| 4.1574 | RDKit | |
| Molar Refractivity | 89.13100000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 311.16520675199996 g/mol | RDKit |
| Boiling Point | 156 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 311.85 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
