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31155-09-6

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Basic Information
CAS No.: 31155-09-6
Name: 2,3-Dichlorobenzaldehyde
Molecular Structure:
Molecular Structure of 31155-09-6 (2,3-Dichlorobenzaldehyde)
Formula: C7H4Cl2O
Molecular Weight: 175.0121
Synonyms: Dichlorobenzaldehyde;
EINECS: 250-492-8
Density: 1.4 g/cm3
Melting Point: 60-64℃
Boiling Point: 242.9 °C at 760 mmHg
Flash Point: 99.2 °C
Hazard Symbols: R36/37/38:;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
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Specification

The Benzaldehyde, dichloro-, with the CAS registry number 31155-09-6, is also known as 2,3-Dichloro-benzaldehyde. Its EINECS registry number is 250-492-8. This chemical's molecular formula is C7H4Cl2O and molecular weight is 175.0121. What's more, its IUPAC name is 2, 3-Dichlorobenzaldehyde.

Physical properties about Benzaldehyde, dichloro- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.87; (6)ACD/BCF (pH 7.4): 81.87; (7)ACD/KOC (pH 5.5): 814.76; (8)ACD/KOC (pH 7.4): 814.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.79 cm3; (15)Molar Volume: 125 cm3; (16)Polarizability: 16.96×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.4 g/cm3; (19)Flash Point: 99.2 °C; (20)Enthalpy of Vaporization: 47.99 kJ/mol; (21)Boiling Point: 242.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0331 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C=O)cccc1Cl
(2) InChI: InChI=1/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
(3) InChIKey: LLMLNAVBOAMOEE-UHFFFAOYAT