4-ISOPROPYLBENZENESULFONYL CHLORIDE

IUPAC Name: 4-Propan-2-ylbenzenesulfonyl chloride
Synonyms of 4-Isopropoxybenzenesulfonyl chloride (CAS NO.54997-90-9): 4-(Propan-2-yl)benzenesulfonyl chloride ; 4-Isopropylbenzenesulfonyl chloride ; Benzenesulfonyl chloride, 4-(1-methylethyl)- ; 4-(Propan-2-Yl)Benzene-1-Sulfonyl Chloride
CAS NO:54997-90-9
Molecular Formula: C₉H₁₁ClO₂S
Molecular Weight: 218.7
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 42.52 ?2
Index of Refraction: 1.528
Molar Refractivity: 54.26 cm³
Molar Volume: 176.1 cm³
Surface Tension: 38.4 dyne/cm 
Density: 1.241 g/cm³ 
Flash Point: 124.7 °C 
Enthalpy of Vaporization: 50.05 kJ/mol 
Boiling Point: 282.6 °C at 760 mmHg 
Vapour Pressure: 0.00568 mmHg at 25°C 
Sensitive: Moisture Sensitive
Appearance: clear yellow to orange liquid
SMILES: ClS(=O)(=O)c1ccc(cc1)C(C)C
InChI: InChI=1/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
InChIKey: CETRNHJIXGITKR-UHFFFAOYAP
Std. InChI: InChI=1S/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
Std. InChIKey: CETRNHJIXGITKR-UHFFFAOYSA-N
Product Categories of 4-Isopropoxybenzenesulfonyl chloride (CAS NO.54997-90-9): Boron, Nitrile, Thio,& TM-Cpds;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds

Hazard Codes: C
Risk Statements: 34-29
R29: Contact with water liberates toxic gas. 
R34: 4-Isopropoxybenzenesulfonyl chloride (CAS NO.54997-90-9) can causes burns.
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: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8
PackingGroup: II

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store 4-Isopropoxybenzenesulfonyl chloride (CAS NO.54997-90-9) in a cool, dry place. Store in a tightly closed container. Corrosives area.