3,4-Thiophenedicarboxylic acid - CAS 4282-29-5
Catalog: |
BB025231 |
Product Name: |
3,4-Thiophenedicarboxylic acid |
CAS: |
4282-29-5 |
Synonyms: |
thiophene-3,4-dicarboxylic acid |
Application: |
Synthetic precursor for organic electronics materials. |
IUPAC Name: | thiophene-3,4-dicarboxylic acid |
Description: | Synthetic precursor for organic electronics materials. |
Molecular Weight: | 172.16 |
Molecular Formula: | C6H4O4S |
Canonical SMILES: | C1=C(C(=CS1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C6H4O4S/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
InChI Key: | ZWWLLYJRPKYTDF-UHFFFAOYSA-N |
Boiling Point: | 405.9 °C at 760 mmHg |
Melting Point: | 227-231 °C |
Purity: | 98 % |
Density: | 1.655 g/cm3 |
Appearance: | Yellow to beige-pinkish or light brown crystalline |
MDL: | MFCD00067079 |
LogP: | 1.14450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.98302978 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.98302978 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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