- 4-Methylsulphonyl benzaldehyde
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Cas Database |
| Name |
4-Methylsulphonyl benzaldehyde |
EINECS | 674-175-2 |
| CAS No. | 5398-77-6 | Density | 1.289g/cm3 |
| PSA | 59.59000 | LogP | 1.98340 |
| Solubility | N/A | Melting Point |
155-161 ºC |
| Formula | C8H8 O3 S | Boiling Point | 378.3°Cat760mmHg |
| Molecular Weight | 184.216 | Flash Point | 242.1°C |
| Transport Information | N/A | Appearance | Intermediate product of Veterinary Thiamphenicol |
| Safety | S24/25 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Benzaldehyde,p-(methylsulfonyl)- (7CI,8CI); 4-(Methylsulfonyl)benzaldehyde;4-Methanesulfonylbenzaldehyde; Methyl 4-formylphenyl sulfone; NSC 3011;p-(Methylsulfonyl)benzaldehyde |
Article Data | 86 |
4-Methylsulphonyl benzaldehyde Chemical Properties
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IUPAC Name: 4-methylsulfonylbenzaldehyde
Molecular Formula: C8H8O3S
Molecular Weight: 184.21 g/mol
Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C=O
InChI: InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
Mol File: 5398-77-6.mol
Product Categories: Boron, Nitrile, Thio,& TM-Cpds; Carbonyl Compounds;Aromatic Aldehydes & Derivatives (substituted); Aldehydes;Phenyls & Phenyl-Het; Benzaldehyde; Phenyls & Phenyl-Het
XLogP3: -0.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 184.019415
MonoIsotopic Mass: 184.019415
Topological Polar Surface Area: 51.2
Heavy Atom Count: 12
Complexity: 242
Index of Refraction: 1.544
Molar Refractivity: 45.16 cm3
Molar Volume: 142.8 cm3
Polarizability: 17.9×10-24cm3
Surface Tension: 45.2 dyne/cm
Density: 1.289 g/cm3
Flash Point: 242.1 °C
Enthalpy of Vaporization: 62.62 kJ/mol
Boiling Point: 378.3 °C at 760 mmHg
Melting Point: 155-161 °C
Vapour Pressure of 4-Methylsulphonyl benzaldehyde (CAS NO.5398-77-6): 6.35E-06 mmHg at 25 °C
4-Methylsulphonyl benzaldehyde Safety Profile
Hazard Codes: 
Xi
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
Hazard Note of 4-Methylsulphonyl benzaldehyde (CAS NO.5398-77-6): Irritant
4-Methylsulphonyl benzaldehyde Specification
4-Methylsulphonyl benzaldehyde (CAS NO.5398-77-6), its Synonyms are 4-(Methylsulfonyl)benaldehyde ; P-(Methyl-sulfonyl)benzaldehyde ; P-methylsulphonyl benzaldehyde ; 4-(Methylsulfonyl)benzaldehyde ; 4-Methylsulfonyl-benzaldehyde ; P-methylsufonylbenzaldehyde . It is light yellow-beige to light brown crystalline.
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