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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
Names and Synonyms:
Butachlor
Acetamide, N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)-
Acetanilide, N-(butoxymethyl)-2-chloro-2′,6′-diethyl-
N-(Butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CP 53619
2′,6′-Diethyl-N-butoxymethyl-2-chloroacetanilide
2′,6′-Diethyl-N-butoxymethyl-α-chloroacetanilide
2-Chloro-2′,6′-diethyl-N-(butoxymethyl)acetanilide
Butachlor
Machete
Machete (herbicide)
N-(Butoxymethyl)-2-chloro-2′,6′-diethylacetanilide
Machette
2-Chloro-2′,6′-diethyl-N-(butoxymethyl)acetoanilide
Butaclor
Hiltachlor
Delchlor
Delchlor 5G
Bilchlor
NSC 221683
Machet
Dingcaoan
Identifiers:
SMILES:
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
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
Key Properties
Boiling Point
156 °C @ Press: 0.5 Torr
CAS Common Chemistry
Melting Point
<-5 °C
CAS Common Chemistry
Density
1.07 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 | 311.85 g/mol | CAS Common Chemistry |
| 311.85300000000007 g/mol | RDKit | |
| 311.16520675199996 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.070 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butachlor | CAS Common Chemistry |
| Boiling Point | 156 °C @ Press: 0.5 Torr | 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 |
| LogP | 4.1574000000000035 | RDKit |
| Molar Refractivity | 89.13100000000006 | RDKit |
