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| CAS No.: | 16712-69-9 |
|---|---|
| Name: | 4-Ethylbenzene-1-sulfonyl chloride |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9ClO2S |
| Molecular Weight: | 204.677 |
| Synonyms: | 4-Ethylbenzenesulfonyl chloride;Benzenesulfonyl chloride, 4-ethyl-; |
| Density: | 1.287 g/cm3 |
| Melting Point: | 8-12°C |
| Boiling Point: | 278.4 °C at 760 mmHg |
| Flash Point: | 122.2 °C |
| Solubility: | Reacts with water. Soluble in ethanol, acetone and toluene. |
| Hazard Symbols: |
 C Xi,Xn
|
| Risk Codes: | 29-34-36/37/38-22 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | 3265 |
| PSA: | 42.52000 |
| LogP: | 3.25730 |
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Chemistry
IUPAC Name: 4-Ethylbenzenesulfonyl chloride
Synonyms of 4-Ethylbenzene-1-sulfonyl chloride (CAS NO.16712-69-9) : 4-Ethylbenzenesulfonyl chloride ; Benzenesulfonyl chloride, 4-ethyl- ; 4-Ethylbenzene-1-sulfonyl chloride ; 4-Ethyl-Benzene-1-Sulfonyl Chloride ; 4-Ethylbenzenesulphonyl chloride
CAS NO:16712-69-9
Molecular Formula:C8H9ClO2S
Molecular Weight :204.67
Molecular Structure :
EINECS: 226-453-6
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 42.52 Å2
Index of Refraction: 1.537
Molar Refractivity: 49.65 cm3
Molar Volume: 158.9 cm3
Surface Tension: 40.3 dyne/cm
Density: 1.287 g/cm3
Flash Point: 122.2 °C
Enthalpy of Vaporization: 49.63 kJ/mol
Boiling Point: 278.4 °C at 760 mmHg
Vapour Pressure: 0.00721 mmHg at 25°C
Melting Point: 8-12°C
Sensitive: 4-Ethylbenzene-1-sulfonyl chloride (CAS NO.16712-69-9) is moisture sensitive.
SMILES: ClS(=O)(=O)c1ccc(cc1)CC
InChI: InChI=1/C8H9ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3
InChIKey: LACFLXDRFOQEFZ-UHFFFAOYAE
Std. InChI: InChI=1S/C8H9ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3
Std. InChIKey: LACFLXDRFOQEFZ-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
C,
Xi,Xn
Risk Statements: 29-34-36/37/38-22
R22: 4-Ethylbenzene-1-sulfonyl chloride (CAS NO.16712-69-9) is harmful if swallowed.
R29: Contact with water liberates toxic gas.
R34: Causes burns.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3265
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II