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Mcpa
CAS: 94-74-6 | C9H9ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-74-6
Molecular Formula:
C9H9ClO3
Molecular Mass:
200.62 g/mol
Names and Synonyms:
Mcpa
MCP
Acetic acid, 2-(4-chloro-2-methylphenoxy)-
Acetic acid, [(4-chloro-o-tolyl)oxy]-
Acetic acid, (4-chloro-2-methylphenoxy)-
Acetic acid, (4-chloro-o-toloxy)-
2-(4-Chloro-2-methylphenoxy)acetic acid
Agroxone
(4-Chloro-2-methylphenoxy)acetic acid
Herbicide M
Leuna M
Methoxone
(2-Methyl-4-chlorophenoxy)acetic acid
Mephanac
Agroxon
Hedonal M
2M4Kh
MCPA
[(4-Chloro-o-tolyl)oxy]acetic acid
2,4-MCPA
Anicon kombi
Anicon M
B-Selektonon M
Dicopur M
Emcepan
Hedapur M 52
Hedarex M
Netazol
Okultin M
2M-4Ch
Metaxon
2M2Kh
Hormoneste
Rhonox
Mecaphar
Agritox 50
Agritox
NSC 2351
MCPA (acid)
MCP (herbicide)
CMPA
MCPA (herbicide)
Chipton
SAN 75
Identifiers:
SMILES:
Cc1cc(Cl)ccc1OCC(=O)O
InChI:
InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
Key Properties
Boiling Point
286.74 °C
CAS Common Chemistry
Melting Point
118-119 °C
CAS Common Chemistry
Density
1.56 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 | 200.62 g/mol | CAS Common Chemistry |
| 200.62099999999998 g/mol | RDKit | |
| 200.024021828 g/mol | RDKit | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.56 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/MCPA | CAS Common Chemistry |
| Boiling Point | 286.74 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)COC1=CC=C(Cl)C=C1C | CAS Common Chemistry |
| InChI | InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=WHKUVVPPKQRRBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | (4-Chloro-2-methylphenoxy)acetic acid | CAS Common Chemistry |
| MCPA | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.11182 | RDKit |
| Molar Refractivity | 49.31980000000002 | RDKit |
