CAS No.502-50-1,4-KETOPIMELIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	502-50-1
Name:	4-KETOPIMELIC ACID
Article Data:	33

Formula:	C₇H₁₀O₅
Molecular Weight:	174.153
Synonyms:	4-Ketopimelicacid;4-Oxoheptanedioic acid;4-Oxopimelic acid;NSC 16642;g-Ketopimelic acid;
EINECS:	207-941-8
Density:	1.334 g/cm³
Melting Point:	142-144 °C(lit.)
Boiling Point:	420.4 °C at 760 mmHg
Flash Point:	222.2 °C
Appearance:	white fine crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	91.67000
LogP:	0.28510

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Specification

The Heptanedioic acid,4-oxo-, with the CAS registry number 502-50-1, is also known as Pimelic acid, 4-keto-. It belongs to the product categories of Miscellaneous Natural Products; Acids and Esters. Its EINECS number is 207-941-8. This chemical's molecular formula is C₇H₁₀O₅ and molecular weight is 174.15. What's more, its systematic name is 4-oxoheptanedioic acid. The product should be sealed and stored in a cool and dry place.

Physical properties of Heptanedioic acid,4-oxo- are: (1)ACD/LogP: -0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -5.47; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.67 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 37.63 cm³; (15)Molar Volume: 130.4 cm³; (16)Polarizability: 14.92×10^-24 cm³; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.334 g/cm³; (19)Flash Point: 222.2 °C; (20)Enthalpy of Vaporization: 73.95 kJ/mol; (21)Boiling Point: 420.4 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,6-Dioxaspiro[4.4]nonan-2,7-dion. This reaction will need reagent KOH and solvent H₂O with the reaction time of 10 min. The yield is about 96%.

Heptanedioic acid,4-oxo- can be prepared by 1,6-Dioxaspiro[4.4]nonan-2,7-dion

Uses of Heptanedioic acid,4-oxo-: it can be used to produce 4-oxo-heptanedioic acid dimethyl ester. It will need reagent H₂SO₄. The yield is about 55%.

Heptanedioic acid,4-oxo- can be used to produce 4-oxo-heptanedioic acid dimethyl ester

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)CCC(=O)CCC(=O)O
(2)InChI: InChI=1/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
(3)InChIKey: UDDSEESQRGPVIL-UHFFFAOYAJ