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41498-07-1

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Basic Information
CAS No.: 41498-07-1
Name: 4-BROMO-5-NITROTHIOPHENE-2-CARBOXALDEHYDE
Article Data: 5
Molecular Structure:
Molecular Structure of 41498-07-1 (4-BROMO-5-NITROTHIOPHENE-2-CARBOXALDEHYDE)
Formula: C5H2BrNO3S
Molecular Weight: 236.04
Synonyms: 4-Bromo-5-nitrothiophene-2-carboxaldehyde;
EINECS: 200-589-5
Density: 1.99 g/cm3
Boiling Point: 301.573 °C at 760 mmHg
Flash Point: 136.187 °C
PSA: 91.13000
LogP: 2.75450
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Specification

The 2-Thiophenecarboxaldehyde,4-bromo-5-nitro-, with the CAS registry number 41498-07-1, is also known as 4-Bromo-5-nitro-2-thiophenecarboxaldehyde. This chemical's molecular formula is C5H2BrNO3S and molecular weight is 236.0433. Its systematic name is called 4-bromo-5-nitrothiophene-2-carbaldehyde.

Physical properties of 2-Thiophenecarboxaldehyde,4-bromo-5-nitro-: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 220; (7)ACD/KOC (pH 7.4): 220; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.696; (11)Molar Refractivity: 45.626 cm3; (12)Molar Volume: 118.605 cm3; (13)Surface Tension: 68.706 dyne/cm; (14)Density: 1.99 g/cm3; (15)Flash Point: 136.187 °C; (16)Enthalpy of Vaporization: 54.172 kJ/mol; (17)Boiling Point: 301.573 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C=O)sc1N(=O)=O
(2)InChI: InChI=1/C5H2BrNO3S/c6-4-1-3(2-8)11-5(4)7(9)10/h1-2H
(3)InChIKey: VVTSZQWGTDZBFV-UHFFFAOYAJ