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2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%

2-Chloro-5-(trifluoromethyl)isonicotinic acid 97% structure

CAS No:
505084-58-2
Formula:
C7H3ClF3NO2
Chemical Name:
2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%
Synonyms:
2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid, 4-Carboxy-2-chloro-5-(trifluoromethyl)pyridine;2-chloro -5-three fluorineMethylisonicotinate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Chloro-5-(trifluoromethyl)isonicotinic acid 97% Basic Attributes

Molecular Weight：

225.56

Exact Mass：

224.980438

DSSTox ID：

DTXSID80460522

HScode：

2933399090

Characteristics

PSA：

50.2

XLogP3：

2.2

Appearance：

Solid

Density：

1.6±0.1 g/cm3

Melting Point：

185-186°C

Boiling Point：

281.6°C at 760 mmHg

Flash Point：

181.6±27.9 °C

Refractive Index：

1.497

Water Solubility：

Slightly soluble in water.

Safety Information

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-5-(trifluoromethyl)isonicotinic acid 97% Use and Manufacturing

Preparation Example 26Ammonium formate (500 mg) and 10percent palladium carbon (270 mg) were added to a solution of Compound 1 (5 g, 0.022 mol) was dissolved in dichloromethane (50 mL)Oxalyl chloride (5.63 g, 0.044 mol) was then added dropwise at 20 degrees Celsius, The reaction was stirred at room temperature for 1 hour.TLC (petroleum ether / ethyl acetate = 5/1, Rf = 0.7) showed the reaction was completed.The reaction solution was concentrated, Dichloromethane and oxalyl chloride were removed.The concentrate was dissolved with dichloromethane (50 mL)Then methanol (10 mL) was added dropwise at 0 ° C, Stir at room temperature for 1 hour.The reaction solution was concentrated, Dichloromethane and methanol were removed, Compound 2 (5.3 g) was obtained, Yield: 100percent.

Computed Properties

Molecular Weight:225.55
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:224.9804405
Monoisotopic Mass:224.9804405
Topological Polar Surface Area:50.2
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 505084-58-2

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Chloro-5-(trifluoromethyl)isonicotinic acid 97%

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