Acetic acid,2-[(4-chlorophenyl)sulfonyl]- supplier

Name
2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID
EINECS
CAS No. 3405-89-8
Article Data16
CAS DataBase
Density 1.52 g/cm³
Solubility
Melting Point 121-123 °C
Formula C₈H₇ClO₄S
Boiling Point 472.1 °C at 760 mmHg
Molecular Weight 234.66
Flash Point 239.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, [(4-chlorophenyl)sulfonyl]- (9CI);Acetic acid,[(p-chlorophenyl)sulfonyl]- (7CI,8CI);4-Chlorophenylsulfonylacetic acid;NSC203148;p-Chlorophenylsulfonylacetic acid;[(4-chlorophenyl)sulfonyl]acetic acid;NSC203148;AC1L1JKE;AC1Q768K;MolPort-000-871-060;ALBB-009423;CID55680;
PSA 79.82000
LogP 2.27910

Acetic acid,2-[(4-chlorophenyl)sulfonyl]- Specification

The Acetic acid,2-[(4-chlorophenyl)sulfonyl]- with CAS registry number of 3405-89-8 is also known as 4-Chlorophenylsulfonylacetic acid. The IUPAC name is 2-(4-Chlorophenyl)sulfonylacetic acid. In addition, the formula is C₈H₇ClO₄S and the molecular weight is 234.66. What's more, it may cause inflammation to the skin or other mucous membranes. This chemical is stable at normal temperature and pressure, and it should be sealed in a ventilated and dry place.

Physical properties about Acetic acid,2-[(4-chlorophenyl)sulfonyl]- are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.82Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 51.3 cm³; (15)Molar Volume: 154.2 cm³; (16)Polarizability: 20.34×10^-24cm³; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.52 g/cm³; (19)Flash Point: 239.3 °C; (20)Enthalpy of Vaporization: 77.43 kJ/mol; (21)Boiling Point: 472.1 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(c1ccc(Cl)cc1)CC(=O)O
2. InChI: InChI=1/C8H7ClO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)
3. InChIKey: IAONCYGNBVHNCT-UHFFFAOYAO
4. Std. InChI: InChI=1S/C8H7ClO4S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H,10,11)
5. Std. InChIKey: IAONCYGNBVHNCT-UHFFFAOYSA-N

Product Name

2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID

Acetic acid,2-[(4-chlorophenyl)sulfonyl]- Specification

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