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2,4-Dichlorophenoxyacetic Acid
CAS: 94-75-7 | C8H6Cl2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-75-7
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.039 g/mol
Names and Synonyms:
2,4-Dichlorophenoxyacetic Acid
Acetic acid, 2-(2,4-dichlorophenoxy)-
Acetic acid, (2,4-dichlorophenoxy)-
2-(2,4-Dichlorophenoxy)acetic acid
2,4-D
2,4-D Acid
2,4-Dichlorphenoxyacetic acid
Hedonal (herbicide)
Pielik
Vidon 638
(2,4-Dichlorophenoxy)acetic acid
Dichlorophenoxyacetic acid
Foredex 75
Verton 2D
B-Selektonon
Dicopur
Fernimine
Netagrone
Ipaner
2,4-PA
Hedonal
Diclordon
2,4-Dichlorophenoxyethanoic acid
Mota Maskros
SDMA
Deherban
Basalcoat
Amoxone
Aminopielik 50SL
Monosan herbi
Desormone
Tiller S
NSC 190751
NSC 2925
Esterone
Isadiamineyeom
Dezormon
Huragan
HM 2010
Unison
Barrage HF
Profiamina
Invesamina 480SL
Identifiers:
SMILES:
O=C(O)COc1ccc(Cl)cc1Cl
InChI:
InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 221.04 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/2,4-Dichlorophenoxyacetic_acid | Legacy Database | |
| cas-boiling-point | 160 °C @ Press: 0.4 Torr | Legacy Database | |
| cas-canonical-smile | O=C(O)COC1=CC=C(Cl)C=C1Cl | Legacy Database | |
| cas-density | 1.42 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) | Legacy Database | |
| cas-inchi-key | InChIKey=OVSKIKFHRZPJSS-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 138 °C | Legacy Database | |
| cas-name | (2,4-Dichlorophenoxy)acetic acid | Legacy Database | |
| wikipedia-name | 2,4-Dichlorophenoxyacetic acid | Legacy Database | |
| LogP | 2.4568000000000003 | RDKit | |
| Molecular | Molecular Weight | 221.039 g/mol | RDKit |
| Exact | Exact Molecular Weight | 219.96939941199997 g/mol | RDKit |
| Heavy | Heavy Atom Count | 13 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 46.53 Ų | RDKit |
| Molar | Molar Refractivity | 49.59280000000002 | RDKit |
