Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
o-터페닐
o-터페닐 · O-테르페닐 · O-터페닐(혼합이성질체) · O-터페닐(혼합 이성질체) · ORTHO-TERPHENYL · 1,1':2',1''-Terphenyl · o-Terpheny · 1,1':2'
식별자 및 물리적 특성
| CAS No. | 84-15-1 |
|---|---|
| 분자식 | C18H14 |
| 평균 분자량 | 230.3 g/mol |
| 단동위원소 질량 | 230.10955045 g/mol |
| SMILES | c1ccc(-c2ccccc2-c2ccccc2)cc1 |
| InChIKey | OIAQMFOKAXHPNH-UHFFFAOYSA-N |
| PubChem CID | 6766 |
| ChEMBL | CHEMBL3560258 |
| EC No. | 201-517-6 |
| DTXSID | DTXSID1049697 |
| 현지명 | o-터페닐 |
화학 및 물리적 성질
| XLogP | 6 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 206 |
| 물질 분류 | Other Classes -> Terphenyls |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 5.5 |
| 밀도 | 1.1 (NIOSH, 2024) - Denser than waterwill sinkRelative density (water = 1): 1.11,1 g/cm3 |
| Color/Form | MONOCLINIC PRISMS FROM METHANOLColorless or light yellow solid. |
| 용해도 | Insoluble (NIOSH, 2024)SOL IN ACETONE, BENZENE, METHANOL, CHLOROFORMSparingly soluble in lower alcohols and glycolsvery soluble in common aromatic solvents.Water solubility = 1.24 mg/l at 25 °CSolubility in water: none1.24mg/L |
| 인화점 | 325 °F (NIOSH, 2024)163 °C325 °F (163 °C) (OPEN CUP)163 °C o.c.(oc) 325 °F>230 °F |
| 끓는 점 | 630 °F at 760 mmHg (NIOSH, 2024)332 °C AT 760 MM HG337 °C (lit.) |
| 녹는점 | 136 °F (NIOSH, 2024)56.2 °CCrumbly, wax-like flakes at room temperature and light amber liquids above the melting point /Commercial terphenyl mixtures/56-59 °C (lit.) |
| 증기 밀도 | 7.95 (AIR= 1)Relative vapor density (air = 1): 7.9 |
| 증기압 | 0.09 mmHg at 200 °F (NIOSH, 2024)0.00025 [mmHg]2.5X10-4 mm Hg at 25 °C, extrapolated from experimentally-derived coefficientsVapor pressure, Pa at 25 °C: 0.0033(200 °F): 0.09 mmHg<1 Pa (25 °C) |
| Heat of Vaporization | 58.3 kJ/mol |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 물에 불용성. 톨루엔의 용해도는 거의 투명합니다. 저급 알코올 및 글리콜에 거의 용해되지 않습니다. 일반적인 방향족 용매에 매우 잘 녹습니다. |
| 비열 | Cp(crystal): 1.19 J/(g·K)Cp(liquid): 1.6 J/(g·K), at 25℃ |
| BRN | 1908446 |
| 헨리 상수 | 1.6×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H |
| InChIKey | OIAQMFOKAXHPNH-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)-c2ccccc2-c3ccccc3 |
| EPA | o-Terphenyl (84-15-1) |
화학적 성질
White crystalline
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: 1,1':2',1''-Terphenyl1,1':2',1''-Terphenyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,1':2',1''-Terphenyl 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)1,2-Diphenylbenzene: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Combustible. |
| 화재 가능성 | FIRE HAZARD: SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. |
| 건강 유해성 | Excerpt from NIOSH Pocket Guide for o-Terphenyl: |
| 유해성 요약 | o-Terphenyl caused kidney injury in subchronic feeding studies in rats. Workers complained of eye and respiratory irritation after inhaling vapors of heated terphenyls. The TLV Basis for Terphenyls is upper respiratory tract and eye irritation[ACGIH] A skin, eye, and respiratory tract irritant[ICSC] |
| 반응성 그룹 | Hydrocarbons, Aromatic |
| OSHA Standards | Permissible Exposure Limit: Table Z-1 Ceiling value: 1 ppm (9 mg/cu m). /Terphenyls/Vacated 1989 OSHA PEL Ceiling limit 5 mg/cu m (0.5 ppm) is still enforced in some states. /Terphenyl (o-, m-, p- isomers)/ |
| Reactivity Profile | O-TERPHENYL is non-flammable but combustible (flash point 339 °F). Extremely stable thermally. Incompatible with strong oxidizing agents but not very reactive at room conditions. |
| Chemical Dangers | On combustion, forms toxic fumes including carbon monoxide. |
용도
용도
o-Terphenyl is used as a plasticizer for polystyrene for thermoplastic recording. Terphenyl mixtures are used industrially as heat storage and transfer agents, as textile dye carriers, and as intermediates in the production of nonspreading lubricants. From 1960-1970, technical grade terphenyls were used as coolants for nuclear reactors, whereas contemporary use has been in solar-heating systems.
일반 설명
Colorless or light-yellow solid. Mp 58-59°C; bp: 337°C. Density: 1.16 g cm-3. Insoluble in water. Usually shipped as a solid mixture with its isomers m-terphenyl and p-terphenyl that is used as a heat-transfer fluid.
제조 및 합성 방법
제조 방법
o-Terphenyl was synthesized via a Suzuki-Miyaura coupling between 2-bromobiphenyl and phenylboronic acid.