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| CAS No.: | 14763-60-1 |
|---|---|
| Name: | 4-Methylsulfonylphenol |
| Article Data: | 25 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8O3S |
| Molecular Weight: | 172.205 |
| Synonyms: | Phenol,p-(methylsulfonyl)- (6CI,8CI);4-(Methanesulfonyl)phenol;4-(Methylsulfonyl)phenol;4-Hydroxyphenyl methyl sulfone;p-(Methanesulfonyl)phenol;p-(Methylsulfonyl)phenol;p-Hydroxyphenyl methyl sulfone; |
| EINECS: | 217-420-7 |
| Density: | 1.328 g/cm3 |
| Melting Point: | 90-95 °C |
| Boiling Point: | 380.5 °C at 760 mmHg |
| Flash Point: | 183.9 °C |
| Solubility: | slight |
| Appearance: | Tan to pink-brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 24/25 |
| PSA: | 62.75000 |
| LogP: | 1.87650 |
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Chemistry
Molecular Structure of Phenol,4-(methylsulfonyl)- (CAS No. 14763-60-1):
IUPAC Name: 4-Methylsulfonylphenol
Molecular Formula: C7H8O3S
Molecular Weight: 172.20
CAS Registry Number: 14763-60-1
Appearance: Tan to pink-brown powder
Melting Point: 90-95 °C
Water Solubility: slight
Index of Refraction: 1.556
Molar Refractivity: 41.72 cm3
Molar Volume: 129.6 cm3
Surface Tension: 46.5 dyne/cm
Density: 1.328 g/cm3
Flash Point: 183.9 °C
Enthalpy of Vaporization: 65.33 kJ/mol
Boiling Point: 380.5 °C at 760 mmHg
Vapour Pressure: 2.47E-06 mmHg at 25°C
Product Categories: Agricultural Chemical; Insecticide
Structure Descriptors of Phenol,4-(methylsulfonyl)- (CAS No. 14763-60-1):
SMILES: O=S(=O)(c1ccc(O)cc1)C
InChI: InChI=1/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey: KECCFSZFXLAGJS-UHFFFAOYAH
Std. InChI: InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3
Std. InChIKey: KECCFSZFXLAGJS-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intracrebral | 20mg/kg (20mg/kg) | Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978. | |
| rat | LD50 | oral | 3160mg/kg (3160mg/kg) | Pesticide Biochemistry and Physiology. Vol. 1, Pg. 356, 1971. |
Safety Profile
Safety Information of Phenol,4-(methylsulfonyl)- (CAS No. 14763-60-1):
Hazard Codes: Xi 
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
Hazard Note: Irritant
Specification
Phenol,4-(methylsulfonyl)- with cas registry number of 14763-60-1 is also called 4-(Methylsulfonyl)phenol ; 4-Hydroxyphenyl methyl sulfone ; p-(Methylsulfonyl)phenol ; p-Hydroxyphenyl methyl sulfone ; Phenol, 4-(methylsulfonyl)- (9CI) ; Phenol, p-(methylsulfonyl)- .