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| CAS No.: | 7795-95-1 |
|---|---|
| Name: | 1-OCTANESULFONYL CHLORIDE |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H17 Cl O2 S |
| Molecular Weight: | 212.741 |
| Synonyms: | Octanesulfonylchloride (6CI); Octylsulfonyl chloride; n-Octanesulfonyl chloride |
| EINECS: | 232-249-8 |
| Density: | 1.087 |
| Melting Point: | 14℃ |
| Boiling Point: | 75 °C0.03 mm Hg(lit.) |
| Flash Point: | 113 ºC |
| Appearance: | yellow-brown liquid |
| Hazard Symbols: |
|
| Risk Codes: | R34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 |
| PSA: | 42.52000 |
| LogP: | 3.99630 |
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Chemistry
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IUPAC Name: Octane-1-sulfonyl chloride
Molecular Formula: C8H17ClO2S
Molecular Weight: 212.74 g/mol
Canonical SMILES: O=S(=O)(CCCCCCCC)Cl
InChI: InChI=1/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
Mol File: 7795-95-1.mol
EINECS: 232-249-8
Product Categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds
Sensitive: Moisture Sensitive
XLogP3-AA: 3.8
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 212.063778
MonoIsotopic Mass: 212.063778
Topological Polar Surface Area: 34.1
Heavy Atom Count: 12
Complexity: 182
Index of Refraction: 1.458
Molar Refractivity: 52.73 cm3
Molar Volume: 193 cm3
Polarizability: 20.9×10-24cm3
Surface Tension: 35.7 dyne/cm
Density: 1.102 g/cm3
Flash Point: 121.1 °C
Enthalpy of Vaporization: 54.69 kJ/mol
Boiling Point: 327.2 °C at 760 mmHg
Vapour Pressure of 1-Octanesulfonyl chloride (CAS NO.7795-95-1): 0.000391 mmHg at 25 °C
Safety Profile
Hazard Codes: 
C
Risk Statements: 34-37
R34: Causes burns.
R37: Irritating to respiratory system.
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.)
WGK Germany: 3
PackingGroup of 1-Octanesulfonyl chloride (CAS NO.7795-95-1): II
Specification
1-Octanesulfonyl chloride (CAS NO.7795-95-1), its Synonyms are 1-Octanesulphonyl chloride ; 1-Octanesulfonylchloride, 97% ; N-Octane sulfonyl chloride ; Octanesulfonyl chloride . It is clear colorless to slightly yellow liquid.