2-CHLORO-4-(METHYLSULFONYL)ANILINE

Molecular Structure of 2-Chloro-4-(methylsulfonyl)aniline (CAS NO.13244-35-4):

EINECS: 236-225-8
IUPAC Name: 2-Chloro-4-methylsulfonylaniline 
Molecular Formula: C₇H₈ClNO₂S
Molecular Weight: 205.661920 g/mol
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)N)Cl
InChI: InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: VLMRGLCBIFWPGL-UHFFFAOYSA-N
Index of Refraction: 1.583
Molar Refractivity: 48.64 cm³
Molar Volume: 145.4 cm³
Surface Tension: 50.8 dyne/cm
Density: 1.414 g/cm³
Flash Point: 195.8 °C
Enthalpy of Vaporization: 65.09 kJ/mol
Boiling Point: 400.1 °C at 760 mmHg
Vapour Pressure: 1.31E-06 mmHg at 25 °C
Melting Point: 191-198 °C
Water Solubility: 2.312e+004 mg/L at 25 °C
BRN: 2093959

Reported in EPA TSCA Inventory.

Safety Information of 2-Chloro-4-(methylsulfonyl)aniline (CAS NO.13244-35-4):
Hazard Codes: Xi 
Hazard Note: Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NO_x, SO_x, and Cl⁻.

   2-Chloro-4-(methylsulfonyl)aniline with CAS registry number of 13244-35-4 is pale purple to grey-brown crystalline powder, also known as 1-Amino-2-chloro-4-methylsulfonylbenzene ; 3-13-00-01327 (Beilstein Handbook Reference) ; 4-Amino-3-chlorofenylomethylosulfon ; 4-Amino-3-chlorofenylomethylosulfon [Polish] ; 4-Amino-3-chlorophenylmethylsulfone ; 4-Amino-3-chlorophenylmethylsulphone ; Benzenamine, 2-chloro-4-(methylsulfonyl)- ; 2-Chloro-4-mesylaniline ; Aniline, 2-chloro-4-(methylsulfonyl)- . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields irritating and toxic fumes and gases.