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| CAS No.: | 635-51-8 |
|---|---|
| Name: | DL-Phenylsuccinic acid |
| Article Data: | 80 |
| Molecular Structure: | |
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| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | Butanedioicacid, phenyl- (9CI);Succinic acid, phenyl- (6CI,7CI,8CI);(RS)-Phenylsuccinicacid;2-Phenylbutanedioic acid;2-Phenylsuccinic acid;NSC 11342;NSC 16635;Phenylsuccinic acid;a-Phenylsuccinicacid; |
| EINECS: | 211-238-1 |
| Density: | 1.336 g/cm3 |
| Melting Point: | 166-168 °C(lit.) |
| Boiling Point: | 307.8 °C at 760 mmHg |
| Flash Point: | 154.2 °C |
| Solubility: | Very soluble in water |
| Appearance: | light beige powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-37/39-26 |
| PSA: | 74.60000 |
| LogP: | 1.32950 |
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Specification
The Phenylsuccinic acid, with the CAS registry number 635-51-8, has the IUPAC name of 2-phenylbutanedioic acid. Being a kind of light beige powder, it is combustible and incompatible with strong oxidizing agents. And its product categories are including FINE Chemical & INTERMEDIATES; C10; Carbonyl Compounds; Carboxylic Acids. In addition, it is usually used as the analytical reagent.
The characteristics of this chemical are as follows: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -3.51; (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: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 48.19 cm3; (15)Molar Volume: 145.2 cm3; (16)Polarizability: 19.1 ×10-24 cm3; (17)Surface Tension: 60.8 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 57.91 kJ/mol; (21)Boiling Point: 307.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000306 mmHg at 25°C; (23)Exact Mass: 194.057909; (24)MonoIsotopic Mass: 194.057909; (25)Topological Polar Surface Area: 74.6; (26)Heavy Atom Count: 14; (27)Complexity: 218.
The production method of this chemical is below: maleic acid anhydride could react with benzenediazonium; chloride to produce Phenylsuccinic acid, with the following condition: reagent: 4M aq. NaOH, titanium(III) chloride; solvent: acetone; reaction time: 2 hour(s); reaction temperature: 20 ℃; yield: 67 %.
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Use of this chemical: phenyl-succinic acid could react to produce phenyl-succinic acid anhydride, with the following condition: reagent: acetyl chloride.
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When you are dealing with this chemical, you should be very cautious. For being a kind of chemical irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. Then do not breathe dust, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
(3)InChIKey: LVFFZQQWIZURIO-UHFFFAOYSA-N