2,6-디플루오로벤자미드
2,6-디플루오로벤자미드 · 2,6-디플루오로벤즈아마이드 · 3-(디플루오로메톡시)아닐린 · 2,6-디플루오로벤즈아마이드(2,6-DIFLUOROBENZAMIDE) · 2,6-다이플루오로벤즈아마이드 · 2,6-difluorobenzoic acid amide · uorobenzamide · Compound Fr13974
식별자 및 물리적 특성
| CAS No. | 18063-03-1 |
|---|---|
| 분자식 | C7H5F2NO |
| 평균 분자량 | 157.12 g/mol |
| 단동위원소 질량 | 157.03392022 g/mol |
| SMILES | NC(=O)c1c(F)cccc1F |
| InChIKey | AVRQBXVUUXHRMY-UHFFFAOYSA-N |
| PubChem CID | 87439 |
| EC No. | 241-972-8 |
| DTXSID | DTXSID4073417 |
| 현지명 | 2,6-디플루오로벤자미드 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 43.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 153 |
| 농약 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | 0.25 |
| 녹는점 | 145-148 °C (lit.) |
| 끓는 점 | 51-52C/15Tor |
| 밀도 | 1,199g/cm |
| 굴절률 | 1,508 |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 에탄올: 용해성 5%, 투명하거나 탁함, 무색 내지 연황색 |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.54±0.50(Predicted) |
| 색상 | 회백색 |
| BRN | 2047480 |
| InChI | 1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | AVRQBXVUUXHRMY-UHFFFAOYSA-N |
| SMILES | NC(=O)c1c(F)cccc1F |
| LogP(분배 계수) | 0.011-0.25 at 25℃ |
| NIST | Benzamide, 2,6-difluoro-(18063-03-1) |
| EPA | Benzamide, 2,6-difluoro- (18063-03-1) |
화학적 성질
white to yellowish powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 21.5% (56 of 260) of reports.WarningH302 (42.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 260 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzamide, 2,6-difluoro-Commission Regulation No 844/2012PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 13-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5759 |
| Hazard Classes and Categories | Acute Tox. 4 (42.7%) |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CV4355050 |
| 독성 | rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293, |
| 관세 코드 | 29242990 |
| 위험 문구(R) | 36/37/38-20 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-37/39-36/37 |
| 위험 등급 | IRRITANTAcute Tox. 4 Oral |
| 기존화학 물질 | 98-3-1121 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
개요
2,6-Difluorobenzamide is a white powdery crystal, insoluble in water. It can be obtained by hydrolysis of 2,6-difluorobenzonitrile. 2,6-Difluorobenzamide is an important intermediate in the synthesis process of benzoylurea insecticides, which is used to synthesize the next intermediate 2,6-difluorobenzoyl isocyanate, and finally obtain flubolurea, pyruron, fluridin, lice mite urea and other pesticide varieties. It can also be directly used to synthesize pyruron and flubolea. 2,6-Difluorobenzamide can inhibit the bacterial cell division protein FtsZ[1].
용도
2,6-Difluorobenzamide (CAS# 18063-03-1) is a useful building block used in the synthesis of (E)-3-methyleneisoindolin-1-ones via oxidative annulation acrylates. It is also used in the synthesis of pesticide intermediates, which can be used to produce various insecticides such as fluazuron, chlorpyrifos, and pyrethroids.
제조 및 합성 방법
제조 방법
2,6-Difluorobenzamide is obtained by hydrolysis of 2,6-difluorobenzonitrile.