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Ethephon
CAS: 16672-87-0 | C2H6ClO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16672-87-0
Molecular Formula:
C2H6ClO3P
Molecular Weight:
144.494 g/mol
Names and Synonyms:
Ethephon
Hevetex
MFX 0543
Super Boll
MFX 0307
Mature-Aide
Romtrel
Arvest
Prep (growth regulator)
Prep
Exin
Boll'd
Direphon
Dextrel M
CEPA (pesticide)
KhEFK
Flordimex TM
Fruitel
β-Chloroethylphosphonic acid
G 996
Camposan M
Flordimex T
PRM 12
Cerone
2-KhEFK
Tomathrel
2-CEPA
Etheverse
Cepha 10LS
Florel
Roll-Fruct
Flordimex
Chlorethephon
Amchem 68-250
Kamposan
Ethefon
G 996 (pesticide)
Camposan
CEPA
Ethel
Chloroethylphosphonic acid
(2-Chloroethyl)phosphonic acid
Ethephon
Ethrel
2-Chloroethanephosphonic acid
CEP
P-(2-Chloroethyl)phosphonic acid
Phosphonic acid, (2-chloroethyl)-
Phosphonic acid, P-(2-chloroethyl)-
Ethereal
MATURE-AIDE
Ethrel 48SL
Ethrel 48 SL
PRM 12RP
Ethrel 10
Proxy
Identifiers:
SMILES:
O=P(O)(O)CCCl
InChI:
InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.49 g/mol | Legacy Database |
| density | 1.58 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethephon None | Legacy Database |
| cas-canonical-smile | O=P(O)(O)CCCl None | Legacy Database |
| cas-density | 1.58 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=UDPGUMQDCGORJQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 74-75 °C None | Legacy Database |
| cas-name | Ethephon None | Legacy Database |
| wikipedia-name | Ethephon None | Legacy Database |
| LogP | 0.4029 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.494 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.974308362 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.631099999999993 | RDKit |
