CAS Number612-87-3
Synonyms[1,1'-Biphenyl]-3,3'-dicarboxylic acid; Biphenyl-3,3'-dicarboxylic acid; 3-(3-carboxyphenyl)benzoic acid; 3,3'-Biphenyldicarboxylic acid
Molecular FormulaC14H10O4
Molecular Weight242.227
Density1.3±0.1 g/cm3
Boiling Point524.4±43.0 °C at 760 mmHg
Melting Point330-332°C (lit.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 612-87-3 |
| Catalog No. | 2A-2175684 |
| Chinese Name | 联苯-3,3'-二羧酸 |
| Synonyms | [1,1'-Biphenyl]-3,3'-dicarboxylic acid; Biphenyl-3,3'-dicarboxylic acid; 3-(3-carboxyphenyl)benzoic acid; 3,3'-Biphenyldicarboxylic acid |
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.227 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 524.4±43.0 °C at 760 mmHg |
| Melting Point | 330-332°C (lit.) |
| Storage Condition | room temperature |
| HTC | 2917399090 |
| SMILES | O=C(O)c1cccc(-c2cccc(C(=O)O)c2)c1 |
| InChI | InChI=1S/C14H10O4/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChI Key | KHZYMPDILLAIQY-UHFFFAOYSA-N |
| MSDS | msds/176116_1_612_87_3.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C14H10O4 Molecular weight:242.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3,3'-Biphenyldicarboxylic acid CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C14-H10-O4 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : Safety Information Hazard Codes Xi HS Code 2917399090 Synthetic Route [1,1'-Biphe... 3,3'-Biphen... Literature: Kusuma, Bhaskar Reddy; Peterson, Laura B.; Zhao, Huiping; Vielhauer, George; Holzbeierlein, Jeffrey; Blagg, Brian S. J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 18 p. 6234 - 6253 3,3'-Dimeth... 3,3'-Biphen... Literature: Woods et al. Journal of the American Chemical Society, 1950 , vol. 72, p. 3221,3225, 3226 3,3'-Dibrom... 16400-51-4 3,3'-Biphen... Literature: Snyder; Weaver; Marshall Journal of the American Chemical Society, 1949 , vol. 71, p. 289 Precursor & DownStream Precursor 10 CAS#:1751-97-9 [1,1'-Biphenyl]... CAS#:612-75-9 3,3'-Dimethylbi... CAS#:16400-51-4 3,3'-Dibromobiphenyl CAS#:19718-35-5 1,2-bis(2-bromo... DownStream 1 CAS#:1751-97-9 [1,1'-Biphenyl]... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
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