Propanoic acid,4-chlorophenyl ester supplier

Name
(4-chlorophenyl) propanoate
EINECS
CAS No. 61469-49-6
Article Data8
CAS DataBase
Density 1.187 g/cm³
Solubility
Melting Point
Formula C₉H₉ClO₂
Boiling Point 249.4 °C at 760 mmHg
Molecular Weight 184.622
Flash Point 115.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionicacid, p-chlorophenyl ester (7CI);4-Chlorophenyl propionate;NSC 52967;p-Chlorophenyl propionate;
PSA 26.30000
LogP 2.65540

Propanoic acid,4-chlorophenyl ester Specification

The CAS registry number of Propanoic acid,4-chlorophenyl ester is 61469-49-6. This chemical is also named as 4-Chlorophenyl propionate. In addition, its molecular formula is C₉H₉ClO₂ and molecular weight is 184.6196. Its IUPAC name is called (4-chlorophenyl) propanoate.

Physical properties about Propanoic acid,4-chlorophenyl ester are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.517; (7)Molar Refractivity: 47.12 cm³; (8)Molar Volume: 155.5 cm³; (9)Surface Tension: 37.3 dyne/cm; (10)Density: 1.187 g/cm³; (11)Flash Point: 115.4 °C; (12)Enthalpy of Vaporization: 48.66 kJ/mol; (13)Boiling Point: 249.4 °C at 760 mmHg; (14)Vapour Pressure: 0.0229 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(=O)CC)cc1
(2)InChI: InChI=1/C9H9ClO2/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3
(3)InChIKey: XKRRJFYQNKYWPJ-UHFFFAOYAP

Product Name

(4-chlorophenyl) propanoate

Propanoic acid,4-chlorophenyl ester Specification

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