-
Name
4-BROMOTHIENO[2,3-C]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
- EINECS
- CAS No. 145325-40-2
- Article Data14
- CAS DataBase
- Density 1.697 g/cm3
- Solubility
- Melting Point
- Formula C9H6BrNO2S
- Boiling Point 372.662 °C at 760 mmHg
- Molecular Weight 272.122
- Flash Point 179.18 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-bromothieno[2,3-c]pyridine-2-carboxylic acid methyl ester;
- PSA 67.43000
- LogP 2.84540
Methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate Specification
The Methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate, with the CAS registry number 145325-40-2, is also called 4-bromothieno[2,3-c]pyridine-2-carboxylic acid methyl ester. And the molecular formula of this chemical is C9H6BrNO2S. It belongs to the product categories of Building Blocks and Thieno[x,x-y]pyridine.
The physical properties of Methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate are as following: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.24; (6)ACD/BCF (pH 7.4): 71.24; (7)ACD/KOC (pH 5.5): 737.54; (8)ACD/KOC (pH 7.4): 737.57; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 60.03 cm3; (15)Molar Volume: 160.3 cm3; (16)Polarizability: 23.79×10-24cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.697 g/cm3; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 61.98 kJ/mol; (21)Boiling Point: 372.7 °C at 760 mmHg; (22)Vapour Pressure: 9.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2cc1c(cncc1Br)s2
(2)InChI: InChI=1/C9H6BrNO2S/c1-13-9(12)7-2-5-6(10)3-11-4-8(5)14-7/h2-4H,1H3
(3)InChIKey: REZMNBYKKVGMCD-UHFFFAOYAP
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