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| CAS No.: | 86649-57-2 |
|---|---|
| Name: | (PYRIDIN-3-YLOXY)-ACETIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H7NO3 |
| Molecular Weight: | 153.137 |
| Synonyms: | Aceticacid, (3-pyridinyloxy)- (9CI);(3-Pyridinyloxy)acetic acid;2-(3-Pyridinyloxy)acetic acid;2-(3-Pyridyloxy)acetic acid;3-Pyridyloxyaceticacid; |
| Density: | 1.3 g/cm3 |
| Melting Point: | 210-212 °C |
| Boiling Point: | 312.9 °C at 760 mmHg |
| Flash Point: | 143 °C |
| Solubility: | Slightly Soluble in water (2.0 g/L) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 59.42000 |
| LogP: | 0.54500 |
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Specification
The Acetic acid, 2-(3-pyridinyloxy)-, with the CAS registry number 86649-57-2, is also known as (3-Pyridinyloxy)acetic acid. This chemical's molecular formula is C7H7NO3 and molecular weight is 153.14. What's more, its systematic name is (Pyridin-3-yloxy)acetic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.
Physical properties about Acetic acid, 2-(3-pyridinyloxy)- are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -3.38; (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: 48.42 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 37.21 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 14.75×10-24 cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 143 °C; (20)Enthalpy of Vaporization: 58.48 kJ/mol; (21)Boiling Point: 312.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000219 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)COc1cccnc1
(2) InChI: InChI=1/C7H7NO3/c9-7(10)5-11-6-2-1-3-8-4-6/h1-4H,5H2,(H,9,10)
(3) InChIKey: MBEPWLCDXKKANL-UHFFFAOYAW