기본 정보
- 표준 SMILES
NC(=O)c1c(F)cccc1F- InChIKey
AVRQBXVUUXHRMY-UHFFFAOYSA-N- 분자식
- C7H5F2NO
- 평균 분자량
- 157.12 g/mol
- 단동위원소 질량
- 157.03392022
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 2,6-Difluorobenzamide
- IUPAC
- 2,6-difluorobenzamide
- 현지명
- 2,6-디플루오로벤자미드
- 영어명
- 2,6-Difluorobenzamide
- 분자식
- C7H5F2NO
- 분자량
- 157.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
18063-03-1- PubChem CID
- 87439
- DTXSID
DTXSID4073417- UNII
- SJ2RN214MK
- EC Number
- 241-972-8
- Nikkaji
- J43.076E
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 145 · 145-148 °C (lit.)
- 끓는 점
- 51 · 51-52C/15Tor
- 밀도
- 1 · 1,199g/cm
- 굴절률
- 1 · 1,508
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 5 %, · 에탄올: 용해성 5%, 투명하거나 탁함, 무색 내지 연황색
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.54 · 14.54±0.50(Predicted)
- 색상
- 회백색
- BRN
- 2047480 · 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
- 0.011 · 0.011-0.25 at 25℃
- NIST
- 2 · Benzamide, 2,6-difluoro-(18063-03-1)
- EPA
- 2 · Benzamide, 2,6-difluoro- (18063-03-1)
화학적 성질
white to yellowish powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 21.5% (56 of 260) of reports.
Warning
H302 (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.
유해성 정보
Regulatory Information
Chemical: Benzamide, 2,6-difluoro-
Commission Regulation No 844/2012
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 13-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5759
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- CV4355050
- 독성
- rat,LC50,inhalation,> 2100mg/m3/4H (2100mg/m3),National Technical Information Service. Vol. OTS0543293,
- HS 번호
- 29242990
- risk_code
- 36/37/38-20
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37
- 위험 등급
- IRRITANT
- 기존화학 물질
- 98-3-1121
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
개요2,6-Difluorobenzamide is a major metabolite of pesticide diflubenzuron and has been quantitated by HPLC/diode-array method.
개요2,6-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].
용도2,6-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 방법
2,6-Difluorobenzamide is obtained by hydrolysis of 2,6-difluorobenzonitrile.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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