Biphenyl-2,2'-dicarboxylic Acid - CAS 482-05-3
Catalog: |
BB026513 |
Product Name: |
Biphenyl-2,2'-dicarboxylic Acid |
CAS: |
482-05-3 |
Synonyms: |
2-(2-carboxyphenyl)benzoic acid; 2-(2-carboxyphenyl)benzoic acid |
IUPAC Name: | 2-(2-carboxyphenyl)benzoic acid |
Description: | Biphenyl-2,2'-dicarboxylic Acid (CAS# 482-05-3) is a useful research chemical. |
Molecular Weight: | 242.23 |
Molecular Formula: | C14H10O4 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O |
InChI: | InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18) |
InChI Key: | GWZCCUDJHOGOSO-UHFFFAOYSA-N |
Boiling Point: | 345.05 °C (rough estimate) |
Melting Point: | 233 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.2695 (rou gh estimate) |
Appearance: | White to orange to green powder to crystal |
Storage: | Store under inert gas |
MDL: | MFCD00002464 |
LogP: | 2.75000 |
Refractive Index: | 1.5389 (estimate) |
Vapor Pressure: | 0.00000001 [mmHg] |
Precautionary Statement: | P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: Wash with plenty of soap and water. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP]. |
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PMID | Publication Date | Title | Journal |
22719430 | 20120601 | 1,1'-Bicyclo-hexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22719431 | 20120601 | 1-(4-Meth-oxy-phen-yl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22719433 | 20120601 | 1,1'-Bicyclo-propyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
22590412 | 20120501 | 1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate | Acta crystallographica. Section E, Structure reports online |
22590413 | 20120501 | 1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0579088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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