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| CAS No.: | 25140-86-7 |
|---|---|
| Name: | 2-(2-CHLOROPHENOXY)PROPIONIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9 Cl O3 |
| Molecular Weight: | 200.622 |
| Synonyms: | Propionicacid, 2-(o-chlorophenoxy)- (6CI,7CI,8CI);(RS)-2-(2-Chlorophenoxy)propionicacid;(?à)-2-(2-Chlorophenoxy)propanoicacid;(?à)-2-(2-Chlorophenoxy)propionicacid;2-(2-Chlorophenoxy)propanoic acid;2-(2-Chlorophenoxy)propionic acid;2-(o-Chlorophenoxy)propionic acid; |
| Density: | 1.307 g/cm3 |
| Melting Point: | 110-116 °C |
| Boiling Point: | 315.7 °C at 760 mmHg |
| Flash Point: | 144.8 °C |
| Appearance: | cream to beige crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 46.53000 |
| LogP: | 2.19190 |
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Chemistry
Molecule structure of 2-(2-Chlorophenoxy)propionic acid (CAS NO.25140-86-7):
IUPAC Name: 2-(2-Chlorophenoxy)propanoic acid
Molecular Weight: 200.61896 [g/mol]
Molecular Formula: C9H9ClO3
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 200.024022
MonoIsotopic Mass: 200.024022
Topological Polar Surface Area: 46.5
Heavy Atom Count: 13
Index of Refraction: 1.546
Molar Refractivity: 48.61 cm3
Molar Volume: 153.4 cm3
Surface Tension: 45.5 dyne/cm
Density: 1.307 g/cm3
Melting Point: 110-116 °C
Flash Point: 144.8 °C
Enthalpy of Vaporization: 58.81 kJ/mol
Boiling Point: 315.7 °C at 760 mmHg
Vapour Pressure: 0.000181 mmHg at 25 °C
Canonical SMILES: CC(C(=O)O)OC1=CC=CC=C1Cl
InChI: InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
InChIKey: ZGWNXHRVUJVMCP-UHFFFAOYSA-N
Classification Code: Drug / Therapeutic Agent
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: UE9350000
HazardClass: IRRITANT
Specification
2-(2-Chlorophenoxy)propionic acid (CAS NO.25140-86-7) is also called (+/-)-2-(2-chlorophenoxy)propionic acid ; 2-(2-Chlorophenoxy)propanoic acid ; 2-(o-Chlorophenoxy)propionic acid ; AI3-14676 ; Acide (o-chlorophenoxy)-2 propionique ; Acide (o-chlorophenoxy)-2 propionique [French] ; Propanoic acid, 2-(2-chlorophenoxy)- . 2-(2-Chlorophenoxy)propionic acid (CAS NO.25140-86-7) is cream to beige crystalline powder.