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4251-63-2

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Basic Information
CAS No.: 4251-63-2
Name: (2-Chlorophenyl)acetaldehyde
Article Data: 11
Molecular Structure:
Molecular Structure of 4251-63-2 ((2-Chlorophenyl)acetaldehyde)
Formula: C8H7ClO
Molecular Weight: 154.596
Synonyms: 2-(2-Chlorophenyl)ethanal;
Density: 1.175 g/cm3
Boiling Point: 235.8 °C at 760 mmHg
Flash Point: 106.3 °C
PSA: 17.07000
LogP: 2.08140
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Specification

The (2-Chlorophenyl)acetaldehyde, with the CAS registry number 4251-63-2, is also known as 2-(2-Chlorophenyl)ethanal. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C8H7ClO and molecular weight is 154.5936. Its systematic name is called (2-chlorophenyl)acetaldehyde.

Physical properties of (2-Chlorophenyl)acetaldehyde: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 37.52; (5)ACD/BCF (pH 7.4): 37.52; (6)ACD/KOC (pH 5.5): 466.13; (7)ACD/KOC (pH 7.4): 466.13; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 40.88 cm3; (12)Molar Volume: 131.5 cm3; (13)Surface Tension: 38.9 dyne/cm; (14)Density: 1.175 g/cm3; (15)Flash Point: 106.3 °C; (16)Enthalpy of Vaporization: 47.26 kJ/mol; (17)Boiling Point: 235.8 °C at 760 mmHg; (18)Vapour Pressure: 0.049 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1CC=O
(2)InChI: InChI=1/C8H7ClO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
(3)InChIKey: NTLKDYQFUMXRNF-UHFFFAOYAW