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DL-Phenylsuccinic acid

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Name

DL-Phenylsuccinic acid

EINECS 211-238-1
CAS No. 635-51-8 Density 1.336 g/cm3
PSA 74.60000 LogP 1.32950
Solubility Very soluble in water Melting Point 166-168 °C(lit.)
Formula C10H10O4 Boiling Point 307.8 °C at 760 mmHg
Molecular Weight 194.187 Flash Point 154.2 °C
Transport Information N/A Appearance light beige powder
Safety 22-24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 635-51-8 (DL-Phenylsuccinic acid) Hazard Symbols IrritantXi
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;

Article Data 80

DL-Phenylsuccinic acid 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 %.

Use of this chemical: phenyl-succinic acid could react to produce phenyl-succinic acid anhydride, with the following condition: reagent: acetyl chloride.

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 

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