Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,5-Difluorophthalic Anhydride
5,6-Difluoroisobenzofuran-1,3-dione · 5,6-Difluoro-2-benzofuran-1,3-dione · PA-2F · 6-deoxy-6-fluorohexopyranose · 4,5-DIFLUOROPHTHALIC ANHYDRIDE · 4,5-Difluorophthalic Anhydride >4,5-DIFLUOROPHTHALIC ANHYDRIDE 98% · 4,5-DIFLUOROPHTHALIC ANHYDRIDE，97% · 4,5-difluoro-1,3-Isobenzofurandione
식별자 및 물리적 특성
| CAS No. | 18959-30-3 |
|---|---|
| 분자식 | C8H2F2O3 |
| 평균 분자량 | 184.1 g/mol |
| 단동위원소 질량 | 183.99720036 g/mol |
| SMILES | O=C1OC(=O)c2cc(F)c(F)cc21 |
| InChIKey | UATBWQQFLABWKR-UHFFFAOYSA-N |
| PubChem CID | 639745 |
| EC No. | 808-095-8 |
| DTXSID | DTXSID10348667 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 240 |
| 녹는점 | 99-100℃ |
| 끓는 점 | 321.2±32.0 °C(Predicted) |
| 밀도 | 1.658 |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 고체 |
| 색상 | 회색 |
| InChI | InChI=1S/C8H2F2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2H |
| InChIKey | UATBWQQFLABWKR-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(F)C(F)=C2)C(=O)O1 |
안전 및 규제
| GHS 분류 | DangerH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| 수질 위해 등급(WGK) | WGK 3 |
| 관세 코드 | 29329990 |
| 위험 표시 | Xi |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
일반 설명
4,5-Difluorophthalic anhydride (CPA) is located on the twofold axis of the space group C2/c; the molecules are stacked in a two-dimensional sheet. It has a similar two-dimensional molecular sheet as 5,6-dichlorobenzfurazan 1-oxide (CBF), 4,5-dibromophthalic anhydride. The disordered CBF molecule is pseudoisomeric with the CPA molecule.