2,3-디메틸푸란
2,3-디메틸푸란 · 2,3-Dimethylfuran · Furagin Impurity 20 · Furan, 2,3-dimethyl- · 2,3-Dimethylfuran>2,3-Dimethylfuran 99% · 2,3-Dimethylfuran 99% · 2,3-Dimethylfuran,99% · 2,3-Dimethylfuran, GC 99%
식별자 및 물리적 특성
| CAS No. | 14920-89-9 |
|---|---|
| 분자식 | C6H8O |
| 평균 분자량 | 96.13 g/mol |
| 단동위원소 질량 | 96.05751488 g/mol |
| SMILES | Cc1ccoc1C |
| InChIKey | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| PubChem CID | 34337 |
| ChEMBL | CHEMBL108232 |
| EC No. | 249-235-2 |
| DTXSID | DTXSID301027759 |
| 현지명 | 2,3-디메틸푸란 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 13.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 61.2 |
| SpringerMaterials Properties | Optical coefficient |
| 녹는점 | -62.8°C (estimate) |
| 끓는 점 | 42 °C/115 mmHg (lit.) |
| 밀도 | 0.91 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.443(lit.) |
| 인화점 | 30 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 투명한 액체 |
| 색상 | Colorless to Yellow to Green |
| 비중 | 0.919 |
| 용해도 | 물에 불용성. |
| BRN | 104572 |
| InChI | 1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 |
| InChIKey | FJSKXQVRKZTKSI-UHFFFAOYSA-N |
| SMILES | Cc1ccoc1C |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 29321900 |
| 위험 문구(R) | 11-20/21/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-36 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
2,3-Dimethylfuran may be used in the synthesis of 2,9-dioxabicyclo[3.3.1]nonane. Ireland Alcohol was synthesized in from 2,3-dimethylfuran.
일반 설명
2,3-Dimethylfuran is a methyl substituted furan. The gas-phase rate constant determined by the relative rate method for the reaction of 2,3-dimethylfuran with NO3 radical was found to be (5.83 ± 0.46)×10-11 and with OH radical was (12.6 ± 0.4)×10-11 (in units of cm3 molecule-1 s-1). It is reported to be formed by the cyclization of (Z)-3-methylpent-2-en-4-yn-1-ol by various methods.