2-(Methylsulfonyl)benzoic acid supplier

Name
2-(METHYLSULFONYL)BENZOIC ACID
EINECS 223-765-5
CAS No. 33963-55-2
Density 1.393 g/cm³
Solubility
Melting Point 136-141 °C
Formula C₈H₈O₄S
Boiling Point 437.8 °C at 760 mmHg
Molecular Weight 200.215
Flash Point 218.6 °C
Transport Information
Appearance White to light yellow or light green powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, o-(methylsulfonyl)- (6CI,8CI);NSC140153;2-(Methylsulfonyl)benzenecarboxylic acid;
PSA 79.82000
LogP 1.86910

2-(Methylsulfonyl)benzoic acid Specification

The CAS register number of Benzoic acid,2-(methylsulfonyl)- is 33963-55-2. It also can be called as 2-(Methylsulfonyl)benzenecarboxylic acid and the systematic name about this chemical is 2-(methylsulfonyl)benzoic acid. The molecular formula about this chemical is C₈H₈O₄S and the molecular weight is 200.21.

Physical properties about Benzoic acid,2-(methylsulfonyl)- are: (1)ACD/LogP: 0.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 68.82 Å²; (10)Index of Refraction: 1.559; (11)Molar Refractivity: 46.47 cm³; (12)Molar Volume: 143.7 cm³; (13)Polarizability: 18.42x10^-24cm³; (14)Surface Tension: 50.8 dyne/cm; (15)Density: 1.392 g/cm³; (16)Flash Point: 218.6 °C; (17)Enthalpy of Vaporization: 73.2 kJ/mol; (18)Boiling Point: 437.8 °C at 760 mmHg; (19)Vapour Pressure: 1.93E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1C(=O)O)C
(2)InChI: InChI=1/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
(3)InChIKey: BZSXEZOLBIJVQK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
(5)Std. InChIKey: BZSXEZOLBIJVQK-UHFFFAOYSA-N

Product Name

2-(METHYLSULFONYL)BENZOIC ACID

2-(Methylsulfonyl)benzoic acid Specification

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