2-(Phenylsulfonylmethyl)benzaldehyde supplier

Name
2-(PHENYLSULFONYLMETHYL)BENZALDEHYDE
EINECS
CAS No. 468751-38-4
Article Data6
CAS DataBase
Density 1.278 g/cm³
Solubility
Melting Point 141.0 to 145.0 °C
Formula C₁₄H₁₂O₃S
Boiling Point 480.8 °C at 760 mmHg
Molecular Weight 260.313
Flash Point 313.3 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(Phenylsulfonyl)methyl]benzaldehyde;
PSA 59.59000
LogP 3.55380

2-(Phenylsulfonylmethyl)benzaldehyde Specification

The Benzaldehyde,2-[(phenylsulfonyl)methyl]- is an organic compound with the formula C₁₄H₁₂O₃S. Its CAS registry number is 468751-38-4. The IUPAC name of this chemical is 2-(Benzenesulfonylmethyl)benzaldehyde. In addition, the molecular weight is 260.31.

Physical properties about Benzaldehyde,2-[(phenylsulfonyl)methyl]- are: (1)ACD/LogP: 1.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.11; (6)ACD/BCF (pH 7.4): 13.11; (7)ACD/KOC (pH 5.5): 219.6; (8)ACD/KOC (pH 7.4): 219.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.59 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 69.87 cm³; (15)Molar Volume: 203.5 cm³; (16)Polarizability: 27.7×10^-24 cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 313.3 °C; (20)Enthalpy of Vaporization: 74.53 kJ/mol; (21)Boiling Point: 480.8 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccccc1)Cc2ccccc2C=O
(2) InChI: InChI=1/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2
(3) InChIKey: KDTVRUZABJBZKA-UHFFFAOYSA-N

Product Name

2-(PHENYLSULFONYLMETHYL)BENZALDEHYDE

2-(Phenylsulfonylmethyl)benzaldehyde Specification

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