Propanoic acid,2-[(4-chlorophenyl)thio]- supplier

Name
2-(4-CHLOROPHENYLTHIO)PROPANOIC ACID
EINECS
CAS No. 18527-12-3
Article Data7
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₉H₉ClO₂S
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 216.688
Flash Point 165.8 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36
Molecular Structure
Hazard Symbols T
Synonyms Propionicacid, 2-[(p-chlorophenyl)thio]- (6CI,8CI);a-[(4-Chlorophenyl)mercapto]propionic acid;
PSA 62.60000
LogP 2.90520

Propanoic acid,2-[(4-chlorophenyl)thio]- Specification

The CAS registry number of Propanoic acid,2-[(4-chlorophenyl)thio]- is 18527-12-3. This chemical is also named as 2-(4-Chlorophenylthio)propanoic acid. In addition, its molecular formula is C₉H₉ClO₂S and molecular weight is 216.68. Its IUPAC name is called 2-(4-chlorophenyl)sulfanylpropanoic acid.

Physical properties about Propanoic acid,2-[(4-chlorophenyl)thio]- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 55.11 cm³; (14)Molar Volume: 159.9 cm³; (15)Surface Tension: 53.9 dyne/cm; (16)Density: 1.35 g/cm³; (17)Flash Point: 165.8 °C; (18)Enthalpy of Vaporization: 62.8 kJ/mol; (19)Boiling Point: 350.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(SC(C(=O)O)C)cc1
(2)InChI: InChI=1/C9H9ClO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
(3)InChIKey: NKBXBKKXOZFZPI-UHFFFAOYAK

Product Name

2-(4-CHLOROPHENYLTHIO)PROPANOIC ACID

Propanoic acid,2-[(4-chlorophenyl)thio]- Specification

Related Products

Hot Products