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5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde

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Name

5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde

EINECS N/A
CAS No. 329222-78-8 Density 1.454 g/cm3
PSA 76.03000 LogP 3.84390
Solubility N/A Melting Point N/A
Formula C11H6ClNO4 Boiling Point 408.8 °C at 760 mmHg
Molecular Weight 251.62 Flash Point 201.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 329222-78-8 (5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde) Hazard Symbols N/A
Synonyms

5-(2-Chloro-5-nitrophenyl)-2-furaldehyde;2-Furancarboxaldehyde, 5-(2-chloro-5-nitrophenyl)-;Furane-2-carboxaldehyde, 5-(2-chloro-5-nitrophenyl)-;TOS-BB-0635;

 

5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde Specification

The 5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde with CAS registry number of 329222-78-8 is also known as 5-(2-Chloro-5-nitrophenyl)-2-furaldehyde. The systematic name and product name are the same. In addition, the formula is C11H6ClNO4 and the molecular weight is 251.62.

Physical properties about 5-(2-Chloro-5-nitro-phenyl)-furan-2-carbaldehyde are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.46; (6)ACD/BCF (pH 7.4): 88.46; (7)ACD/KOC (pH 5.5): 861.14; (8)ACD/KOC (pH 7.4): 861.14; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 76.03Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 61.33 cm3; (15)Molar Volume: 172.9 cm3; (16)Polarizability: 24.31×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.454 g/cm3; (19)Flash Point: 201.1 °C; (20)Enthalpy of Vaporization: 66.09 kJ/mol; (21)Boiling Point: 408.8 °C at 760 mmHg; (22)Vapour Pressure: 6.8E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=Cc2oc(c1c(Cl)ccc([N+]([O-])=O)c1)cc2
2. InChI: InChI=1/C11H6ClNO4/c12-10-3-1-7(13(15)16)5-9(10)11-4-2-8(6-14)17-11/h1-6H
3. InChIKey: DIZCCNXYIFDHAX-UHFFFAOYAB
4. Std. InChI: InChI=1S/C11H6ClNO4/c12-10-3-1-7(13(15)16)5-9(10)11-4-2-8(6-14)17-11/h1-6H
5. Std. InChIKey: DIZCCNXYIFDHAX-UHFFFAOYSA-N

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