(Benzylsulfonyl)acetic acid supplier

Name
2-benzylsulfonylacetic acid
EINECS
CAS No. 28203-59-0
Article Data15
CAS DataBase
Density 1.387g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₄S
Boiling Point 490.2 °C at 760 mmHg
Molecular Weight 214.242
Flash Point 250.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (benzylsulfonyl)- (6CI,7CI,8CI);Acetic acid, [(phenylmethyl)sulfonyl]-(9CI);Benzylsulfonylacetic acid;NSC 207839;NSC 77402;
PSA 79.82000
LogP 1.76680

(Benzylsulfonyl)acetic acid Specification

The (Benzylsulfonyl)acetic acid is an organic compound with the formula C₉H₁₀O₄S. The IUPAC name of this chemical is 2-benzylsulfonylacetic acid. With the CAS registry number 28203-59-0, it is also named as Phenylmethanesulfonylacetic acid.

Physical properties about (Benzylsulfonyl)acetic acid are: (1)ACD/LogP: 0.91; (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: 4; (9)Polar Surface Area: 68.82 Å²; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 51.11 cm³; (12)Molar Volume: 154.4 cm³; (13)Polarizability: 20.26×10^-24cm³; (14)Surface Tension: 59.3 dyne/cm; (15)Density: 1.387 g/cm³; (16)Flash Point: 250.3 °C; (17)Enthalpy of Vaporization: 79.69 kJ/mol; (18)Boiling Point: 490.2 °C at 760 mmHg; (19)Vapour Pressure: 2.01E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Cc1ccccc1)CC(=O)O
(2)InChI: InChI=1/C9H10O4S/c10-9(11)7-14(12,13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
(3)InChIKey: HPWAJMXOEYIERK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H10O4S/c10-9(11)7-14(12,13)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
(5)Std. InChIKey: HPWAJMXOEYIERK-UHFFFAOYSA-N

Product Name

2-benzylsulfonylacetic acid

(Benzylsulfonyl)acetic acid Specification

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