2-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile
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기본 정보
- CAS
436097-14-2- 표준 SMILES
CC1=C(C#N)C(=C(C#N)C#N)OC1(c1ccccc1)C(F)(F)F- InChIKey
HALXLBYMOUPGRG-UHFFFAOYSA-N- 분자식
- C16H8F3N3O
- 평균 분자량
- 315.25 g/mol
이름 및 식별자
- 우선 이름
- 2-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile
- IUPAC
- 2-[3-cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
- 영어명
- 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran
- 분자식
- C16H8F3N3O
- 분자량
- 315.25
이름 및 동의어
436097-14-22-(3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene)malononitrile2-[3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2(5H)-ylidene]malononitrileRefChem:455458888-087-9MFCD29917027CHEMBL19145782-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran2-[3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)-2(5H)-furanylidene]-propanedinitrile2-(3-cyano-4-methyl-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene)propanedinitrile2-(3-cyano-4-methyl-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrile2-[3-cyano-4-methyl-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
이름 더 보기
[3-Cyano-4-methyl-5-phenyl-5-(trifluoromethyl)-2(5H)-furanylidene]malononitrilePropanedinitrile, 2-[3-cyano-4-methyl-5-phenyl-5-(trifluoromethyl)-2(5H)-furanylidene]-2-(3-Cyano-4-Methyl-5-Phenyl-5-(Trifluoromethyl)Furan-2(5H)-Ylidene)Malononitrile(WXC02374)
SCHEMBL406234C16H8F3N3OBDBM503572012-[3-cyano-4-methyl-5-phenyl-5-(trifluoromethyl)-2-furylidene]propanedinitrileSY125667DB-216874C3792CS-0047235
데이터베이스 식별자
- CAS
436097-14-2- PubChem CID
- 11674067
- ChEMBL
CHEMBL1914578- EC Number
- 888-087-9
- Nikkaji
- J2.299.749A
물성
구조 계산 물성보충 중
- XLogP
- 2.5
- 극성 표면적
- 80.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 711
물리화학적 성질
- 끓는 점
- 356.4 · 356.4±42.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3 (20 ºC 760 Torr)
- InChI
- InChI=1S/C16H8F3N3O/c1-10-13(9-22)14(11(7-20)8-21)23-15(10,16(17,18)19)12-5-3-2-4-6-12/h2-6H,1H3
- InChIKey
- HALXLBYMOUPGRG-UHFFFAOYSA-N
- SMILES
- C(#N)/C(=C1/C(C#N)=C(C)C(C2=CC=CC=C2)(C(F)(F)F)O/1)/C#N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
관련 반응
15건
화합물 노트
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