4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile 구조식 이미지
카스 번호:
1197377-47-1
상품명:
4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
동의어(영문):
(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile;4-(3-AMINO-1,2,4-TRIAZIN-6-YL)-2-FLUOROBENZONITRILE;Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-
CBNumber:
CB12652323
분자식:
C10H6FN5
포뮬러 무게:
215.19
MOL 파일:
1197377-47-1.mol

4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile 속성

끓는 점
497.4±55.0 °C(Predicted)
밀도
1.46±0.1 g/cm3 (20 ºC 760 Torr)
산도 계수 (pKa)
2?+-.0.63(Predicted)
InChI
InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16)
InChIKey
JXQHTMHBDHVPDQ-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(C2N=NC(N)=NC=2)C=C1F
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H317 알레르기성 피부 반응을 일으킬 수 있음 피부 과민성 물질 구분 1 경고 GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P272 작업장 밖으로 오염된 의복을 반출하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P321 (…) 처치를 하시오.
P333+P313 피부자극성 또는 홍반이 나타나면 의학적인 조치·조언를 구하시오.
P363 다시 사용전 오염된 의류는 세척하시오.
P501 ...에 내용물 / 용기를 폐기 하시오.

4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile C화학적 특성, 용도, 생산

Synthesis

4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile could be synthesize from the reaction of 6-bromo-1,2,4-triazin-3-amine with 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. A solution concluding these two compounds in 1,4-dioxane (1200 mL) was stirred before K2CO3 was added. The reaction mixture was degassed by bubbling with nitrogen before 1,1'-bis(diphenyl phosphine)ferrocene dichloropalladium(II) complex with dichloromethane (1:1) (Pd(dppf)2Cl2 was added. The resulting reaction mixture was degassed by bubbling with nitrogen and then heated at 86° C. After the reaction mixture was cooled to 0-5° C. 1,4-Dioxane was added before aqueous hydrochloric acid solution was added dropwise to adjust pH to 0.40-0.93. The mixture was stirred at for 30 min and filtered. The solid collected was stirred with 1,4-dioxane, and HCl added. Finally, after purification, product 4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile was obtained.
4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

저장

Keep in dark place,Inert atmosphere,Room temperature

4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile 준비 용품 및 원자재

원자재

준비 용품


4-(3-Amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile 공급 업체

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Golden Pharma Co., Limited
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