CAS No.3405-89-8,2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3405-89-8
Name:	2-[(4-CHLOROPHENYL)SULFONYL]ACETIC ACID
Article Data:	16

Formula:	C₈H₇ClO₄S
Molecular Weight:	234.66
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;
Density:	1.52 g/cm³
Melting Point:	121-123 °C
Boiling Point:	472.1 °C at 760 mmHg
Flash Point:	239.3 °C
Hazard Symbols:	Xi
PSA:	79.82000
LogP:	2.27910

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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