2-Chloro-4-methylsulphonylbenzoic acid

Molecule structure of 2-Chloro-4-methylsulphonylbenzoic acid (CAS NO.53250-83-2):

IUPAC Name: 2-Chloro-4-methylsulfonylbenzoic acid 
Molecular Weight: 234.65678 g/mol
Molecular Formula: C₈H₇ClO₄S 
Density: 1.507 g/cm³ 
Melting Point: 192-193 °C
Boiling Point: 454.8 °C at 760 mmHg 
Flash Point: 228.8 °C
Index of Refraction: 1.572
Molar Refractivity: 51.3 cm³
Molar Volume: 155.6 cm³
Surface Tension: 53.4 dyne/cm 
Enthalpy of Vaporization: 75.28 kJ/mol
Vapour Pressure: 4.62E-09 mmHg at 25 °C
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 233.975357
MonoIsotopic Mass: 233.975357
Topological Polar Surface Area: 71.4
Heavy Atom Count: 14
Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)Cl
InChI: InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChIKey: CTTWSFIIFMWHLQ-UHFFFAOYSA-N
EINECS: 406-520-8
Product Categories: Carboxylic Acids;Phenyls & Phenyl-Het;Carboxylic Acids;Phenyls & Phenyl-Het

 2-Chloro-4-methylsulphonylbenzoic acid (CAS NO.53250-83-2) is used as intermediates in organic synthesis.

Hazard Codes: Xi
Risk Statements: 41-36/37/38 
R41:Risk of serious damage to the eyes. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37/39-26-22-39 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S22:Do not breathe dust. 
S39:Wear eye / face protection.
Hazard Note: Irritant

 2-Chloro-4-methylsulphonylbenzoic acid (CAS NO.53250-83-2) is also named as Benzoic acid, 2-chloro-4-(methylsulfonyl)- . 2-Chloro-4-methylsulphonylbenzoic acid (CAS NO.53250-83-2) is white to light yellow or light pink powder. It is insoluble in water, soluble in toluene, dichloromethane and other organic solvents.