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Cas Database |
| Name |
Propanoic acid,4-chlorophenyl ester |
EINECS | N/A |
| CAS No. | 61469-49-6 | Density | 1.187 g/cm3 |
| PSA | 26.30000 | LogP | 2.65540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9ClO2 | Boiling Point | 249.4 °C at 760 mmHg |
| Molecular Weight | 184.622 | Flash Point | 115.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propionicacid, p-chlorophenyl ester (7CI);4-Chlorophenyl propionate;NSC 52967;p-Chlorophenyl propionate; |
Article Data | 8 |
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
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