식별자 및 물리적 특성
| CAS No. | 26447-28-9 |
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| 분자식 | C5H4O3 |
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| 평균 분자량 | 112.08 g/mol |
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| 단동위원소 질량 | 112.01604399 g/mol |
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| SMILES | O=C(O)c1ccco1 |
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| InChIKey | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
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| PubChem CID | 6919 |
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| ChEMBL | CHEMBL1232797 |
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| ChEBI | CHEBI:30845 |
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| EC No. | 201-803-0 |
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| DTXSID | DTXSID6041420 |
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| 현지명 | 2-퓨로산 |
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화학 및 물리적 성질
| XLogP | 0.5 |
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| 극성 표면적 | 50.4 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 99.8 |
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| SpringerMaterials Properties | Boiling point |
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| LogP(분배 계수) | 0.64 |
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| 향미제 | EU Flavoring substances |
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| 용해도 | 37.1 mg/mL at 15 °C |
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| 끓는 점 | 230.00 to 232.00 °C. @ 760.00 mm Hg149.97°C (rough estimate) |
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| 녹는점 | 133.5 °C133°C |
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| Physical Description | LiquidSolid |
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| 밀도 | 1.2552 (rough estimate) |
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| 굴절률 | 1.4390 (estimate) |
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| EPA | Furancarboxylic acid (26447-28-9) |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 34.8% (89 of 256) of reports.WarningH315 (64.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 256 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: 2-Furancarboxylic acidChemical: Furancarboxylic acidCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Furancarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/200612-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
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| 기타 안전 정보 | IMAP assessments - Furancarboxylic acid: Environment tier I assessmentIMAP assessments - 2-Furancarboxylic acid: Human health tier I assessment |
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| Hazard Classes and Categories | Skin Irrit. 2 (64.5%) |
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| TSCA 등재 상태 | TSCA listed |
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