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| CAS No.: | 3284-79-5 |
|---|---|
| Name: | 3-(P-CHLOROPHENOXY)PROPIONIC ACID |
| Article Data: | 16 |
| Molecular Structure: | |
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|
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| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | Propionicacid, 3-(p-chlorophenoxy)- (6CI,7CI,8CI);3-(4-Chlorophenoxy)propanoic acid;3-(4-Chlorophenoxy)propionic acid;3-(p-Chlorophenoxy)propionic acid;NSC48113;β-(4-Chlorophenoxy)propionic acid; |
| EINECS: | 221-932-6 |
| Density: | 1.311 g/cm3 |
| Melting Point: | 136-140 °C |
| Boiling Point: | 308.3 °C at 760 mmHg |
| Flash Point: | 140.2 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 46.53000 |
| LogP: | 2.19350 |
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- Total:19 Page 1 of 1 1
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Specification
The Propanoic acid,3-(4-chlorophenoxy)-, with the CAS registry number 3284-79-5, is also known as 3-(4-Chlorophenoxy)propionic acid. It belongs to the product categories of C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 221-932-6. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.62. What's more, its IUPAC name and systematic name are the same which is called 3-(4-Chlorophenoxy)propanoic acid. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about Propanoic acid,3-(4-chlorophenoxy)-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 48.65 cm3; (15)Molar Volume: 153 cm3; (16)Surface Tension: 47.2 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 140.2 °C; (19)Enthalpy of Vaporization: 57.96 kJ/mol; (20)Boiling Point: 308.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000298 mmHg at 25 °C; (22)Melting point: 136-140 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(OCCC(=O)O)cc1
(2) InChI: InChI=1/C9H9ClO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)
(3) InChIKey: OWHJDUCBLVMRBJ-UHFFFAOYAU