Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Thiobenzyl nicotinic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

112811-90-2

112811-90-2 structure

Name: 2-THIOBENZYL NICOTINIC ACID
Chemical Name: 2-benzylsulfanylpyridine-3-carboxylic acid
CAS Number: 112811-90-2
Molecular Formula: C₁₃H₁₁NO₂S
Molecular Weight: 245.297
Catalog: Pharmaceutical intermediate Heterocyclic compound Pyridine compound Pyridine derivative
Create Date: 2018-07-27 10:22:34
Modify Date: 2024-01-02 11:19:15

Name	2-benzylsulfanylpyridine-3-carboxylic acid
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

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

Hazard Codes	Xi
HS Code	2933399090

38521-46-9

100-44-7

~83%

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

89407-37-4

~93%

112811-90-2

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

2942-59-8

100-53-8

~74%

112811-90-2

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

Precursor 5
38521-46-9 100-44-7 89407-37-4 2942-59-8
100-53-8
DownStream 2
104857-27-4 112006-57-2

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%

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