2,6-Dichlorophenylacetic acid
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2,6-Dichlorophenylacetic acid
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CAS No:
6575-24-2
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Formula:
C8H6Cl2O2
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Chemical Name:
2,6-Dichlorophenylacetic acid
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Synonyms:
Benzeneacetic acid,2,6-dichloro-;Acetic acid,(2,6-dichlorophenyl)-;2,6-Dichlorobenzeneacetic acid;2,6-Dichlorophenylacetic acid;2-(2,6-Dichlorophenyl)acetic acid
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CAS No:
2,6-Dichlorophenylacetic acid Basic Attributes
205.04
205.04
229-504-0
K8G025CX8W
DTXSID1041633
2916399090
Safety Information
NONH for all modes of transport
3
R36/37/38
S37/39-S26-S26/37/39-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-Dichlorophenylacetic acid Use and Manufacturing
A solution of (2, 6-dichloro-phenyl)-acetonitrile (Intermediate A1) (commercially available at Aldrich) (18.6 g, 100 mmol) in ethanol (40 mL) and water (50 mL) was treated with KOH (30 g) and the mixture was heated to 80° C. for 20 h. The mixture was quenched with HCl until pH 3. The product was extracted with chloroform (5.x.50 mL). The extracts were combined, dried over MgSO2, 6-Dichlorotoluene (2.4 g), ethanol (46 mg), di-tert-butyl peroxide (73 mg, 1 equivalent), and Pd(Xantphos)Cl1 L three-neck bottle, under the protection of nitrogen, adding 300 g 30percent hydrochloric acid. Heating to 80 - 95 °C. Adding 200 g intermediate 1 - (2, 2, 2 - trichloro-ethyl) - 2, 6 - dichloro. The completion of the dropping, thermal insulation reaction 10 hours. The reaction is finished. The system lower the temperature quenching. Filtering, washing, drying to obtain crude 203.0 g. For the pure toluene recrystallization to obtain 2, 6 - dichloro acetic acid 115.3 g, melting point 161 - 163 °C, HPLC purity is greater than 98 wt percent.
Computed Properties
Molecular Weight:205.03
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:203.9744848
Monoisotopic Mass:203.9744848
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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