Benzeneacetic acid, 4-[(methylsulfonyl)amino]- supplier

Name
4-(METHANESULFONYLAMINO)PHENYLACETIC ACID
EINECS
CAS No. 56205-88-0
Article Data8
CAS DataBase
Density 1.456 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₄S
Boiling Point 422.7 °C at 760 mmHg
Molecular Weight 229.257
Flash Point 209.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols C,Xn
Synonyms Benzeneacetic acid,4-[(methylsulfonyl)amino]-;4-(Methylsulphonylamino)phenylacetic acid;{4-[(methylsulfonyl)amino]phenyl}acetic acid;
PSA 91.85000
LogP 1.83900

Benzeneacetic acid, 4-[(methylsulfonyl)amino]- Specification

The Benzeneacetic acid, 4-[(methylsulfonyl)amino]-, with the CAS registry number 56205-88-0, has the systematic name of {4-[(methylsulfonyl)amino]phenyl}acetic acid. It belongs to the following product categories: Acids and Derivatives; Boron, Nitrile, Thio,& TM-Cpds. And the molecular formula of the chemical is C₉H₁₁NO₄S.

The characteristics of Benzeneacetic acid, 4-[(methylsulfonyl)amino]- are as followings: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.92; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 54.75 cm³; (15)Molar Volume: 157.3 cm³; (16)Polarizability: 21.7×10^-24cm³; (17)Surface Tension: 65.5 dyne/cm; (18)Density: 1.456 g/cm³; (19)Flash Point: 209.5 °C; (20)Enthalpy of Vaporization: 71.36 kJ/mol; (21)Boiling Point: 422.7 °C at 760 mmHg; (22)Vapour Pressure: 6.7E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(Nc1ccc(cc1)CC(=O)O)C
(2)InChI: InChI=1/C9H11NO4S/c1-15(13,14)10-8-4-2-7(3-5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
(3)InChIKey: FSTWMOUDEJBNAO-UHFFFAOYAF

Product Name

4-(METHANESULFONYLAMINO)PHENYLACETIC ACID

Benzeneacetic acid, 4-[(methylsulfonyl)amino]- Specification

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