CAS No.5802-65-3,CYCLOPENTANE-1,1-DICARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5802-65-3
Name:	CYCLOPENTANE-1,1-DICARBOXYLIC ACID
Article Data:	1

Formula:	C₇H₁₀O₄
Molecular Weight:	158.154
Synonyms:	NSC 22076;
Density:	1.416 g/cm³
Boiling Point:	368.9 °C at 760 mmHg
Flash Point:	191.1 °C
Risk Codes:	68-20/21/22-36/37/38
Safety:	26-36
PSA:	74.60000
LogP:	0.71600

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Specification

The 1, 1-Cyclopentanedicarboxylicacid, with the CAS registry number of 5802-65-3, is also known as NSC 22076. It belongs to the product categories of Carboxylic Acids; Carboxylic Acids; Ring Systems. This chemical's molecular formula is C₇H₁₀O₄ and molecular weight is 158.1519. What's more, its IUPAC name is Cyclopentane-1, 1-dicarboxylic acid.

Physical properties about 1, 1-Cyclopentanedicarboxylicacid are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 35.17 cm³; (13)Molar Volume: 111.6 cm³; (14)Surface Tension: 68.6 dyne/cm; (15)Density: 1.416 g/cm³; (16)Flash Point: 191.1 °C; (17)Enthalpy of Vaporization: 67.61 kJ/mol; (18)Boiling Point: 368.9 °C at 760 mmHg; (19)Vapour Pressure: 1.88E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by Cyclopentane-1, 1-dicarboxylic acid diethyl ester. The reaction needs reagent 10 % aq. NaOH. The reaction time is 5 hours. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1, 1-Cyclopentane dicarbonyldichloride. This reaction needs reagent SOCl₂. The reaction time is 3 hours. The yield is about 92 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C1(C(=O)O)CCCC1
(2) InChI: InChI=1/C7H10O4/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H,8,9)(H,10,11)
(3) InChIKey: YZFOGXKZTWZVFN-UHFFFAOYAS