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38210-35-4

Basic Information
CAS No.: 38210-35-4
Name: 2-(2-PYRIDYL)BENZOTHIOPHENE, 97
Article Data: 33
Molecular Structure:
Molecular Structure of 38210-35-4 (2-(2-PYRIDYL)BENZOTHIOPHENE, 97)
Formula: C13H9NS
Molecular Weight: 211.287
Synonyms: 2-(2-Pyridyl)benzothiophene;2-(2'-Pyridyl)-1,3-benzothiazole;2-(Benzo[b]thiophen-2-yl)pyridine;
EINECS: 200-258-5
Density: 1.232 g/cm3
Melting Point: 123-127 °C
Boiling Point: 380.659 °C at 760 mmHg
Flash Point: 179.373 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 41.13000
LogP: 3.96330
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Specification

The 2-(2-Pyridyl)benzothiophene is an organic compound with the formula C13H9NS. The systematic name of this chemical is 2-(1-benzothiophen-2-yl)pyridine. With the CAS registry number 38210-35-4, it is also named as 2-(benzo[b]thiophen-2-yl)pyridine.

Physical properties about 2-(2-Pyridyl)benzothiophene are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2530; (5)ACD/BCF (pH 7.4): 2580; (6)ACD/KOC (pH 5.5): 9442; (7)ACD/KOC (pH 7.4): 9629; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 65.163 cm3; (13)Molar Volume: 171.537 cm3; (14)Polarizability: 25.833×10-24cm3; (15)Surface Tension: 52.514 dyne/cm; (16)Density: 1.232 g/cm3; (17)Flash Point: 179.373 °C; (18)Enthalpy of Vaporization: 60.42 kJ/mol; (19)Boiling Point: 380.659 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1c3sc2ccccc2c3
(2)InChI: InChI=1/C13H9NS/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-9H
(3)InChIKey: NRSBAUDUBWMTGL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H9NS/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-9H
(5)Std. InChIKey: NRSBAUDUBWMTGL-UHFFFAOYSA-N