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2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid

2-Thiobenzyl Nicotinic Acid

CAS: 112811-90-2

Molecular Formula: C13H11NO2S

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2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid - Names and Identifiers

Name 2-Thiobenzyl Nicotinic Acid
Synonyms 2-Thiobenzyl
biphenyl-2-ylboronic acid
2-thiobenzynicotinic acid
2-Thiobenzylnicotinic acid
2-BENZYLTHIONICOTINIC ACID
2-THIOBENZYL NICOTINIC ACID
2-Thiobenzyl Nicotinic Acid
2-Benzylsulfanyl-nicotinic acid
2-THIOBENZYPYRIDINE-3-CARBOXYLIC ACID
2-(benzylsulfanyl)pyridine-3-carboxylic acid
ethyl 2-(trifluoromethyl)pyridine-3-carboxylate
2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid
2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
CAS 112811-90-2
InChI InChI=1/C13H11NO2S/c15-13(10-5-3-7-14-8-10)16-9-11-4-1-2-6-12(11)17/h1-5,7-8H,6,9H2

2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid - Physico-chemical Properties

Molecular FormulaC13H11NO2S
Molar Mass245.3
Density1.33±0.1 g/cm3(Predicted)
Melting Point188-190°C
Boling Point431.1±40.0 °C(Predicted)
Flash Point205.8°C
Vapor Presure3.73E-07mmHg at 25°C
Appearancepowder to crystal
ColorWhite to Almost white
pKa1.56±0.36(Predicted)
Storage Condition2-8°C
Refractive Index1.633
Physical and Chemical PropertiesMelting point 188-190°C
UseUsed as a pharmaceutical Intermediate

2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid - Reference Information

EPA chemical information Information provided by: ofmpub.epa.gov (external link)
use as a pharmaceutical intermediate
Last Update:2024-04-09 20:45:29
2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid
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View History
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324740-06-9
1219981-22-2
3,5-Isoxazoledicarboxylic acid, 3-ethyl ester
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