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| CAS No.: | 313222-85-4 |
|---|---|
| Name: | Phenoxyacetic acid sodium salt |
| Molecular Structure: | |
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| Formula: | C8H7NaO3 |
| Molecular Weight: | 174.13 |
| Synonyms: | Aceticacid, phenoxy-, sodium salt, monohydrate (9CI); |
| EINECS: | 222-746-8 |
| Melting Point: |
262-264 °C(lit.) |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.36000 |
| LogP: | -0.18470 |
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Specification
The Phenoxyacetic acid sodium salt, with the cas registry number 313222-85-4, has the systematic name of sodium phenoxyacetate. It belongs to the following product categories: Carbonyl Compounds; Carboxylic Acid Salts and Organic Building Blocks. And the molecular formula of the chemical is C8H7NaO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -2.29; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å2; (13)Flash Point: 115.1 °C; (14)Enthalpy of Vaporization: 55.35 kJ/mol; (15)Boiling Point: 285 °C at 760 mmHg; (16)Vapour Pressure: 0.00135 mmHg at 25°C.
You should be cautious while dealing with this chemical. The chemical irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)COc1ccccc1
(2)InChI: InChI=1/C8H8O3.Na/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
(3)InChIKey: WPTJBFNYRRZIDZ-REWHXWOFAQ