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3-(4-Chlorophenyl)glutaric acid

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Name

3-(4-Chlorophenyl)glutaric acid

EINECS 252-477-1
CAS No. 35271-74-0 Density 1.396 g/cm3
PSA 74.60000 LogP 2.37300
Solubility N/A Melting Point 164-166 °C
Formula C11H11ClO4 Boiling Point 394.4 °C at 760 mmHg
Molecular Weight 242.659 Flash Point 192.3 °C
Transport Information N/A Appearance White Solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35271-74-0 (3-(4-Chlorophenyl)glutaric acid) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

Glutaricacid, 3-(p-chlorophenyl)- (6CI);3-(4-Chlorophenyl)glutaric acid;b-(p-Chlorophenyl)glutaric acid;

Article Data 13

3-(4-Chlorophenyl)glutaric acid Specification

The CAS register number of 3-(4-Chlorophenyl)glutaric acid is 35271-74-0. It also can be called as Pentanedioic acid,3-(4-chlorophenyl)- and the IUPAC name about this chemical is 3-(4-chlorophenyl)pentanedioic acid. The molecular formula about this chemical is C11H11ClO4 and the molecular weight is 242.66. It belongs to the following product categories, such as Miscellaneous Biochemicals; (intermediate of baclofen); Aromatics and so on. This chemical is no decompose under normal circumstances and no danger reaction. It can be stored in a seal, cool and dry place.

Physical properties about 3-(4-Chlorophenyl)glutaric acid are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): -1.06; (3)ACD/LogD (pH 7.4): -3.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.6Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 57.72 cm3; (14)Molar Volume: 173.7 cm3; (15)Polarizability: 22.88x10-24cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Enthalpy of Vaporization: 67.96 kJ/mol; (18)Boiling Point: 394.4 °C at 760 mmHg; (19)Vapour Pressure: 6.29E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: Clc1ccc(cc1)C(CC(=O)O)CC(=O)O
(2)InChI: InChI=1/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
(3)InChIKey: URXVLIVRJJNJII-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)
(5)Std. InChIKey: URXVLIVRJJNJII-UHFFFAOYSA-N

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