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1,3-Benzenedicarboxaldehyde,2-chloro-

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Name

1,3-Benzenedicarboxaldehyde,2-chloro-

EINECS N/A
CAS No. 170879-73-9 Density 1.352 g/cm3
PSA 34.14000 LogP 1.96500
Solubility N/A Melting Point N/A
Formula C8H5ClO2 Boiling Point 277.949 °C at 760 mmHg
Molecular Weight 168.58 Flash Point 115.588 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 170879-73-9 (1,3-BENZENEDICARBOXALDEHYDE, 2-CHLORO-) Hazard Symbols N/A
Synonyms

2-Chlorobenzene-1,3-dicarboxaldehyde;

 

1,3-Benzenedicarboxaldehyde,2-chloro- Specification

The 1,3-Benzenedicarboxaldehyde,2-chloro has the CAS registry number 170879-73-9. This chemical's molecular formula is C8H5ClO2 and molecular weight is 168.58. What's more, its systematic name is 2-Chlorobenzene-1,3-dicarbaldehyde. 

Physical properties of 1,3-Benzenedicarboxaldehyde,2-chloro- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 342; (8)ACD/KOC (pH 7.4): 342; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 44.654 cm3; (15)Molar Volume: 124.716 cm3; (16)Polarizability: 17.702×10-24 cm3; (17)Surface Tension: 50.984 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 115.588 °C; (20)Enthalpy of Vaporization: 51.654 kJ/mol; (21)Boiling Point: 277.949 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(C=O)c1Cl
(2)InChI: InChI=1S/C8H5ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
(3)InChIKey: FCORNWNKZWNPOX-UHFFFAOYSA-N

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