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6-FLUORONICOTINICACIDMETHYLESTER

6-FLUORONICOTINICACIDMETHYLESTER structure

CAS No:
1427-06-1
Formula:
C7H6FNO2
Chemical Name:
6-FLUORONICOTINICACIDMETHYLESTER
Synonyms:
METHYL6-FLUORONICOTINATE;6-FLUORONICOTINICACIDMETHYLESTER;6-Fluoro-3-(Methoxycarbonyl)pyridine;Methyl6-fluoropyridine-3-carboxylate;6-fluoro-3-PyridinecarboxylicacidMethylester;3-Pyridinecarboxylicacid,6-fluoro-,methylester;Methyl6-fluoropyridine-3-carboxylate,6-Fluoro-3-(methoxycarbonyl)pyridine
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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6-FLUORONICOTINICACIDMETHYLESTER Basic Attributes

Molecular Weight：

155.13

Exact Mass：

155.038254

DSSTox ID：

DTXSID10548564

HScode：

29333990

Characteristics

PSA：

39.2

XLogP3：

1.1

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

48-52 °C

Boiling Point：

210.311ºC at 760 mmHg

Flash Point：

99 °C

Refractive Index：

1.491

Vapor Pressure：

0.194mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

22-41

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Danger|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-FLUORONICOTINICACIDMETHYLESTER Use and Manufacturing

Step G:A mixture of 6-fluoro-nicotinic acid (2.07g, 14.7mmol), KMethyl 6-fluoronicotinate. To a solution of 6-fluoronicotinic acid (255 mg, 1.32 mmol) in methanol (5 mL) at room temperature was added (trimethylsilyl)diazomethane (4.0 mL, 2 M in diethyl ether, 8.0 mmol). The reaction mixture was stirred at room temperature for 30 min and concentrated. Methyl 6- fluoronicotinate (129 mg, 47percent) was used without further purification:

Computed Properties

Molecular Weight:155.13
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:155.03825660
Monoisotopic Mass:155.03825660
Topological Polar Surface Area:39.2
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 6-fluoropyridine-3-carboxylate

CAS No.: 1427-06-1

Content: 99.00%

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Guide of 6-FLUORONICOTINICACIDMETHYLESTER

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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6-FLUORONICOTINICACIDMETHYLESTER

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