Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
플로로톨루엔(3-)
M-플루오로톨루엔 · 3-플루오로톨루엔 · 플로로톨루엔(3-) · 3-플루오로톨루엔(3-FLUOROTOLUENE) · M-FLUOROTOLUENE · 1-FLUORO-3-METHYLBENZENE · 3-FLUOROBENZENE · 3-Fluortoluol
식별자 및 물리적 특성
| CAS No. | 2599-73-7 |
|---|---|
| 분자식 | C7H7F |
| 평균 분자량 | 110.13 g/mol |
| 단동위원소 질량 | 110.05317844 g/mol |
| SMILES | Cc1cccc(F)c1 |
| InChIKey | BTQZKHUEUDPRST-UHFFFAOYSA-N |
| PubChem CID | 9606 |
| ChEMBL | CHEMBL345698 |
| EC No. | 206-524-8 |
| DTXSID | DTXSID2059855 |
| 현지명 | 플로로톨루엔(3-) |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 70.8 |
| 물질 분류 | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 밀도 | 0.9986 at 68 °F (USCG, 1999) - Less dense than waterwill float0.991 g/mL at 25 °C(lit.) |
| 인화점 | 49 °F (USCG, 1999) |
| 끓는 점 | 240.8 °F at 760 mmHg (USCG, 1999)115 °C(lit.) |
| 녹는점 | -125.9 °F (USCG, 1999)-87 °C |
| 증기압 | 42.39 mmHg (USCG, 1999)21.8 [mmHg] |
| Physical Description | 3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239 °C. Flash point 63 °F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)[Merck Index] Aromatic odor[Alfa Aesar MSDS] |
| 굴절률 | n20/D 1.469(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 0.991 |
| 용해도 | 섞일 수 없음 |
| Merck | 14,4180 |
| BRN | 1903631 |
| 유전율 | 5.4199999999999999 |
| InChI | 1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | BTQZKHUEUDPRST-UHFFFAOYSA-N |
| SMILES | Cc1cccc(F)c1 |
| LogP(분배 계수) | 2.75 |
| NIST | Benzene, 1-fluoro-3-methyl-(352-70-5) |
| EPA | m-Fluorotoluene (352-70-5) |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.DangerH225 (56%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/62373-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: May contain toxic fluoride fumes. |
| 건강 유해성 | Inhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999) |
| 유해성 요약 | An irritantMay cause smarting and reddening of skin if spilled and allowed to remain on clothesCan be absorbed through skinHarmful by ingestion[CHRIS] A mild skin and eye irritantCauses respiratory tract irritation[Alfa Aesar MSDS] See m-Chlorotoluene and 4-Chlorotoluene. |
| 반응성 그룹 | Aryl Halides |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 3-FLUOROTOLUENE may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Generates toxic fluoride fumes when burned. |
| Air and Water Reactions | Highly flammable. |
| Hazard Classes and Categories |
용도
용도
3-Fluorotoluene was used in gas phase selective synthesis of 3-fluorobenzaldehyde. It was used in generation of tolyl cations by chemical ionization in mass spectrometry.
일반 설명
A colorless liquid with an aromatic odor. Boiling point 239°C. Flash point 63°F. Density 0.991 g / cm3---may float or sink in water.