CAS No.22971-62-6,5-OXO-5-(2-THIENYL)VALERIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22971-62-6
Name:	5-OXO-5-(2-THIENYL)VALERIC ACID
Article Data:	15

Formula:	C₉H₁₀O₃S
Molecular Weight:	198.24
Synonyms:	2-Thiophenevalericacid, d-oxo- (6CI,8CI);NSC 80412;
Density:	1.282 g/cm³
Melting Point:	94-97 °C
Boiling Point:	407.8 °C at 760mm Hg
Flash Point:	200.455 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	82.61000
LogP:	2.18570

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Specification

The 2-Thiophenepentanoicacid, d-oxo-, also known as 5-Oxo-5-(2-thienyl)pentanoic acid, is the organic compound with the formula C₉H₁₀O₃S. With the CAS registry number 22971-62-6, its IUPAC name is 5-oxo-5-thiophen-2-ylpentanoic acid. The substance should be sealed and stored in cool and dry place.

Physical properties of 2-Thiophenepentanoicacid, d-oxo-: (1)XLogP3-AA: 1.4 ; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 5; (5)Tautomer Count: 2; (6)Exact Mass: 198.035065; (7)MonoIsotopic Mass: 198.035065; (8)Topological Polar Surface Area: 82.6; (9)Heavy Atom Count: 13 ; (10)Formal Charge: 0; (11)Complexity: 203; (12)Isotope Atom Count: 0; (13)Covalently-Bonded Unit Count: 1.

Preparation of 2-Thiophenepentanoicacid, d-oxo-: this chemical can be prepared by thiophene and pentanedioic acid anhydride. This reaction will need reagent aluminium chloride and nitrobenzene.

2-Thiophenepentanoicacid, d-oxo- can be prepared by thiophene and pentanedioic acid anhydride

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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=O)CCCC(=O)O
(2)InChI: InChI=1S/C9H10O3S/c10-7(3-1-5-9(11)12)8-4-2-6-13-8/h2,4,6H,1,3,5H2,(H,11,12)
(3)InChIKey: GSQMRVFOHNXKOR-UHFFFAOYSA-N