2-THIOBENZYL NICOTINIC ACID

Modify Date: 2024-01-02 11:19:15

2-THIOBENZYL NICOTINIC ACID Structure
2-THIOBENZYL NICOTINIC ACID structure
Common Name 2-THIOBENZYL NICOTINIC ACID
CAS Number 112811-90-2 Molecular Weight 245.297
Density 1.3±0.1 g/cm3 Boiling Point 416.8±55.0 °C at 760 mmHg
Molecular Formula C13H11NO2S Melting Point 188-190ºC
MSDS N/A Flash Point 205.8±31.5 °C

 Names

Name 2-benzylsulfanylpyridine-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 416.8±55.0 °C at 760 mmHg
Melting Point 188-190ºC
Molecular Formula C13H11NO2S
Molecular Weight 245.297
Flash Point 205.8±31.5 °C
Exact Mass 245.051056
PSA 75.49000
LogP 1.64
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.634

 Safety Information

Hazard Codes Xi
HS Code 2933399090

 Synthetic Route

~83%

2-THIOBENZYL NICOTINIC ACID Structure

2-THIOBENZYL NI...

CAS#:112811-90-2

Literature: Furdas, Silviya D.; Shekfeh, Suhaib; Bissinger, Elisabeth-Maria; Wagner, Julia M.; Schlimme, Sonja; Valkov, Vassil; Hendzel, Michael; Jung, Manfred; Sippl, Wolfgang Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 12 p. 3678 - 3689

~93%

2-THIOBENZYL NICOTINIC ACID Structure

2-THIOBENZYL NI...

CAS#:112811-90-2

Literature: JUBILANT ORGANOSYS LIMITED Patent: WO2005/97748 A1, 2005 ; Location in patent: Page/Page column 7 ;

~74%

2-THIOBENZYL NICOTINIC ACID Structure

2-THIOBENZYL NI...

CAS#:112811-90-2

Literature: JUBILANT ORGANOSYS LIMITED Patent: WO2005/97748 A1, 2005 ; Location in patent: Page/Page column 7-8 ;

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-Pyridinecarboxylic acid, (6-thioxo-1,3-cyclohexadien-1-yl)methyl ester
MFCD00661380
2-Benzylsulfanyl-nicotinic acid
2-(Benzylthio)pyridine-3-carboxylic Acid
2-THIOBENZYL NICOTINIC ACID
(6-Thioxocyclohexa-1,3-dien-1-yl)methyl nicotinate
2-(Benzylsulfanyl)nicotinic acid
3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-
2-(Benzylthio)nicotinic Acid
(6-Thioxo-1,3-cyclohexadien-1-yl)methyl nicotinate
2-benzyl thio acid