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2-Furancarboxaldehyde,5-(2-chloro-4-nitrophenyl)-

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Name

2-Furancarboxaldehyde,5-(2-chloro-4-nitrophenyl)-

EINECS N/A
CAS No. 327049-94-5 Density 1.454 g/cm3
PSA 76.03000 LogP 3.84390
Solubility N/A Melting Point N/A
Formula C11H6ClNO4 Boiling Point 401 °C at 760 mmHg
Molecular Weight 251.626 Flash Point 196.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 327049-94-5 (5-(2-CHLORO-4-NITRO-PHENYL)-FURAN-2-CARBALDEHYDE) Hazard Symbols N/A
Synonyms

Furan-2-carboxaldehyde, 5-(2-chloro-4-nitrophenyl)-;

 

2-Furancarboxaldehyde,5-(2-chloro-4-nitrophenyl)- Specification

The 2-Furancarboxaldehyde, 5-(2-chloro-4-nitrophenyl)-, with the CAS registry number 327049-94-5, is also known as Furan-2-carboxaldehyde, 5-(2-chloro-4-nitrophenyl)-. This chemical's molecular formula is C11H6ClNO4 and molecular weight is 251.62. What's more, its IUPAC name is 5-(2-Chloro-4-nitrophenyl)furan-2-carbaldehyde.

Physical properties about 2-Furancarboxaldehyde, 5-(2-chloro-4-nitrophenyl)- are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.99; (5)ACD/BCF (pH 5.5): 109.98; (6)ACD/BCF (pH 7.4): 109.98; (7)ACD/KOC (pH 5.5): 1006.41; (8)ACD/KOC (pH 7.4): 1006.41; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.03 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 61.33 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 24.31×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 196.3 °C; (20)Enthalpy of Vaporization: 65.19 kJ/mol; (21)Boiling Point: 401 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2oc(c1c(Cl)cc([N+]([O-])=O)cc1)cc2
(2) InChI: InChI=1/C11H6ClNO4/c12-10-5-7(13(15)16)1-3-9(10)11-4-2-8(6-14)17-11/h1-6H
(3) InChIKey: YLWXKADRQFEWGM-UHFFFAOYAO

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