4-Methyl-3-nitrobenzene-1-sulfonyl chloride

Product Name: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride 
Molecular Formula: C₇H₆ClNO₄S
Molecular Weight: 235.64 g/mol
Canonical SMILES: O=[N+]([O-])c1cc(ccc1C)S(Cl)(=O)=O
InChI: InChI=1/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3
Mol File: 616-83-1.mol
Product Categories: Benzene derivates; Organic Building Blocks;Sulfonyl Halides; Sulfur Compounds
H bond acceptors: 5 
H bond donors: 0 
Freely Rotating Bonds: 2 
Polar Surface Area: 88.34  
Index of Refraction: 1.576 
Molar Refractivity: 51.05 cm³ 
Molar Volume: 154.2 cm³ 
Polarizability: 20.24×10^-24cm³ 
Surface Tension: 53.7 dyne/cm 
Density: 1.528 g/cm³ 
Flash Point: 160.3 °C 
Enthalpy of Vaporization: 56.19 kJ/mol 
Boiling Point: 341.4 °C at 760 mmHg 
Melting Point: 30-34 °C(lit.)
Sensitive: Moisture Sensitive
Vapour Pressure of 4-Methyl-3-nitrobenzene-1-sulfonyl chloride (CAS NO.616-83-1):  0.00016 mmHg at 25 °C

Hazard Codes: C,Xi 
Risk Statements: 34-29-14 
R34: Causes burns. 
R29: Contact with water liberates toxic gas. 
R14: Reacts violently with water.
Safety Statements: 26-36/37/39-45-8-30-22 
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.) 
S8: Keep container dry. 
S30: Never add water to this product. 
S22: Do not breathe dust.
RIDADR:  N 3261 8/PG 3
WGK Germany: 3
HazardClass: 8
PackingGroup of 4-Methyl-3-nitrobenzene-1-sulfonyl chloride (CAS NO.616-83-1):  II

 4-Methyl-3-nitrobenzene-1-sulfonyl chloride (CAS NO.616-83-1), its Synonyms are 3-Nitro-4-methylbenzenesulfonylchloride ; 4-Methyl-3-nitrobenzenesulfonyl chloride ; 3-Nitro-P-Toluenesulfonyl chloride ; 3-Nitro-4-Methyl phenylsulfonyl chloride ; 2-Nitrobenzene-4-sulfonyl chloride ; 4-Methyl-3-nitrobenzene-1-sulphonyl chloride .