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5-Methoxynicotinic acid

5-Methoxynicotinic acid structure

CAS No:
20826-03-3
Formula:
C7H7NO3
Chemical Name:
5-Methoxynicotinic acid
Synonyms:
3-Pyridinecarboxylic acid,5-methoxy-;Nicotinic acid,5-methoxy-;5-Methoxy-3-pyridinecarboxylic acid;5-Methoxypyridine-3-carboxylic acid;5-Methoxynicotinic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Methoxynicotinic acid Basic Attributes

Molecular Weight：

153.13

Exact Mass：

153.14

HScode：

2933399090

Characteristics

PSA：

59.4

XLogP3：

0.3

Density：

1.284g/cm3

Melting Point：

228-229 °C

Flash Point：

154ºC

Refractive Index：

1.549

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Methoxynicotinic acid Use and Manufacturing

To a solution of methyl 5-methoxynicotinate 1136 (300 mg, 1.79 mmol) in a mixture of THF (4 mL) and methanol (4 mL) was added NaOH (2 M aqueous solution, 3 mL). The resulting mixture was stirred at room temperature for 14 hours. The solvent was removed and the residue obtained diluted with water (20 mL). The pH of the aqueous mixture was adjusted to 6 by addition of a 2 M aqueous HCI solution. The mixture was extracted with DCM (20 mL x 3) and the combined organic layers washed with brine (10 mL x 2), dried ( a2S0

Computed Properties

Molecular Weight:153.14
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:153.042593085
Monoisotopic Mass:153.042593085
Topological Polar Surface Area:59.4
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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