Identification | More | [Name]
3-Thiophenemalonic acid | [CAS]
21080-92-2 | [Synonyms]
3-THIENYLMALONIC ACID 3-THIOPHENEMALONIC ACID LABOTEST-BB LT00112328 THIOPHENE-3-MALONIC ACID 3-thienyl-propanedioicaci 3-Thienylpropanedioic acid 3-Thiophenemalonic acids 3-TMA Thiophen-3-malonic acid 3-ThienylpropanedioicAcid(3-Tma)C7H6O4S 3-Thiophenemalonic acid, 98+ % 3-Thienylpropanedioic 3-thienylpropanedioic acid (intermediate of ticarcillin & temocillin) (Thien-3-yl)malonic acid (Thien-3-yl)propanedioic acid 3-THIENYLPROPANEDIOIC ACID (3-TMA) The key intermediate of Ticarcillin & Temocillin α-Carboxythiophene-3-acetic acid, (3-Thienyl)malonic acid 2-(3-Thienyl)malonic acid 2-Thiophen-3-ylpropanedioic acid | [EINECS(EC#)]
244-198-9 | [Molecular Formula]
C7H6O4S | [MDL Number]
MFCD00005469 | [Molecular Weight]
186.19 | [MOL File]
21080-92-2.mol |
Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
139 °C (dec.) (lit.) | [Boiling point ]
290.67°C (rough estimate) | [density ]
1.5439 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
2-8°C | [form ]
powder to crystal | [pka]
2.73±0.10(Predicted) | [color ]
White to Orange to Green | [BRN ]
6503620 | [InChI]
InChI=1S/C7H6O4S/c8-6(9)5(7(10)11)4-1-2-12-3-4/h1-3,5H,(H,8,9)(H,10,11) | [InChIKey]
GCOOGCQWQFRJEK-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C(C1C=CSC=1)C(O)=O | [CAS DataBase Reference]
21080-92-2(CAS DataBase Reference) | [EPA Substance Registry System]
21080-92-2(EPA Substance) |
Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29309090 |
Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Thiophenemalonic Acid (Ticarcillin EP Impurity C) is an intermediate used to synthesize temocillin. It is also used to prepare malonate-based inhibitors of mammalian serine racemase. |
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