4-Nitrophthalonitrile

4-Nitrophthalonitrile 구조식 이미지
카스 번호:
31643-49-9
상품명:
4-Nitrophthalonitrile
동의어(영문):
4-NITROPHTHALONITRILE;4-NITROPHTALONITRILE;4NPN;4-nitro phthalic nitrile;ROXA-012;RSYY(Avanafil)-57;TIMTEC-BB SBB008410;4-nitro-phthalonitril;Febuxostat Impurity 11;Febuxostat Impurities8
CBNumber:
CB9102334
분자식:
C8H3N3O2
포뮬러 무게:
173.13
MOL 파일:
31643-49-9.mol
MSDS 파일:
SDS

4-Nitrophthalonitrile 속성

녹는점
142-144 °C(lit.)
끓는 점
303.75°C (rough estimate)
밀도
1.4553 (rough estimate)
굴절률
1.6500 (estimate)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
결정질 분말, 결정 및/또는 덩어리
색상
밝은 노란색, 밝은 녹색 또는 밝은 회색에서 베이지색
수용성
물에 난용성.(0.26 g/L) (25°C),
BRN
1877554
CAS 데이터베이스
31643-49-9(CAS DataBase Reference)
EPA
1,2-Benzenedicarbonitrile, 4-nitro- (31643-49-9)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn
위험 카페고리 넘버 22-36/37/38-20/21/22
안전지침서 26-36
WGK 독일 3
RTECS 번호 TI8576000
TSCA Yes
HS 번호 29269090
독성 mouse,LD50,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 52(9), Pg. 92, 1987.
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P270 이 제품을 사용할 때에는 먹거나, 마시거나 흡연하지 마시오.
P301+P312 삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
2 0

4-Nitrophthalonitrile MSDS


5-Nitrobenzene-1,2-dicarbonitrile

4-Nitrophthalonitrile C화학적 특성, 용도, 생산

화학적 성질

light yellow, light greenish or light grey to

용도

4-Nitrophthalonitrile is a useful chemical in organic synthesis. Dyes and metabolites.

제조 방법

Synthesis of 4-Nitrophthalonitrile: SOCl2 (83.5 mL. 1.144 mol) was added dropwise under nitrogen purge to dry DMF (200 mL) which had been cooled to 0-5 °C. The solution was allowed to stir for 15 min at 0-5 °C. The 4-nitrophthalamide (60.1 g, 0.286 mol) was then added and the solution was allowed to slowly warm to room temperature and react for 18 h under nitrogen purge. The solution was then slowly added to ice water to crystallize and precipitate the product. The 4-nitrophthalonitrile was collected using vacuum filtration, washed with ice cold water, and allowed to air dry overnight; yield: 45.2 g (92%); m.p.: 141 °C (det. by DSC)
1 H NMR((CD3)2SO): 8.41 (dd, 1H), 8.67 (dd, 1H), 9.03 (dd, 1H) FTIR: 3091 (m, aromatic C-H stretch), 2242 (d, CN stretch), 1534 (s, asymmetric N=O stretch), 1349 (s, symmetric N=O stretch), 853 (s, C-N stretch)

Synthesis

4-Nitrophthalonitrile synthesized from phthalimide in three steps. The reaction time of ruthenium chloride and HZSM-5 catalysts was very shorter than ammonium molybdate and Hβ catalysts. The yield while we used ruthenium chloride and HZSM-5 catalysts were very higher than another.
Synthesis of 4-Nitrophthalonitrile
In a three necked flask, 70 mL of dry dimethylformamide (DMF) was cooled to 0 °C under a stream of nitrogen and 7.3 mL of thionyl chloride was added so that the internal temperature did not go beyond 5 °C. After addition, nitrogen flow was ceased and a calcium chloride tube was added to the top of flask. Meanwhile, the color of the medium was observed to be yellow. Then, 10 g (0.048 mol) of 4- nitrophthalamide was slowly added so that the internal temperature did not go beyond 5 °C. The mixture was stirred over ice bath for 1 hour. The mixture was stirred at room temperature for 2 hours and then poured over 500 g of ice-water. The precipitate was filtered and washed successively with water, 250 mL 5% sodium hydrogencarbonate solution, and water again and dried in a vacuum oven at 110-120 °C. Molecular formula: C8H3N3O2. Yield: 7.4 g (90%). Mp: 141 °C.

4-Nitrophthalonitrile 준비 용품 및 원자재

원자재

준비 용품


4-Nitrophthalonitrile 공급 업체

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