2-Chloro-4-(methylsulfonyl)benzaldehyde supplier

Name
2-Chloro-4-(methylsulfonyl)benzaldehyde
EINECS
CAS No. 101349-95-5
Article Data8
CAS DataBase
Density 1.412 g/cm³
Solubility
Melting Point 137-138 °C
Formula C₈H₇ClO₃S
Boiling Point 408.19 °C at 760 mmHg
Molecular Weight 218.661
Flash Point 200.667 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde, 2-chloro-4-(methylsulfonyl)-;
PSA 59.59000
LogP 2.63680

2-Chloro-4-(methylsulfonyl)benzaldehyde Specification

2-Chloro-4-(methylsulfonyl)benzaldehyde is an organic compound with the formula C₈H₇ClO₃S, and its systematic name is the same with the product name. With the CAS registry number 101349-95-5, it is also named as Benzaldehyde, 2-chloro-4-(methylsulfonyl)-. In addition, the molecular weight is 218.66.

Physical properties of 2-Chloro-4-(methylsulfonyl)benzaldehyde are: (1)ACD/LogP: 1.589; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.50; (6)ACD/BCF (pH 7.4): 9.50; (7)ACD/KOC (pH 5.5): 174.32; (8)ACD/KOC (pH 7.4): 174.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.59 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 49.993 cm³; (15)Molar Volume: 154.828 cm³; (16)Polarizability: 19.819×10^-24cm³; (17)Surface Tension: 48.05 dyne/cm; (18)Density: 1.412 g/cm³; (19)Flash Point: 200.667 °C; (20)Enthalpy of Vaporization: 66.018 kJ/mol; (21)Boiling Point: 408.19 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1Cl)S(=O)(=O)C
(2)Std. InChI: InChI=1S/C8H7ClO3S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
(3)Std. InChIKey: FSZMGEPPBLUUFS-UHFFFAOYSA-N

Product Name

2-Chloro-4-(methylsulfonyl)benzaldehyde

2-Chloro-4-(methylsulfonyl)benzaldehyde Specification

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