기본 정보
- CAS
1691-93-6- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1C(=O)C(F)(F)F- InChIKey
VXIIAPOORVGKBU-UHFFFAOYSA-N- 분자식
- C12H9F3N2O2
- 평균 분자량
- 270.21 g/mol
- 단동위원소 질량
- 270.06161202
이름 및 식별자
- 우선 이름
- 3-Methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-one
- IUPAC
- 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one
- 영어명
- 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE
- 분자식
- C12H9F3N2O2
- 분자량
- 270.21
이름 및 동의어
3-Methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-oneRefChem:503506621-008-61691-93-6MFCD001433785-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-4H-pyrazol-3-one3-methyl-1-phenyl-4-(2,2,2-trifluoroacetyl)-4,5-dihydro-1H-pyrazol-5-one3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone3-methyl-1-phenyl-4-(2,2,2-trifluoroacetyl)-2-pyrazolin-5-oneVXIIAPOORVGKBU-UHFFFAOYSA-SBB010020
이름 더 보기
TIMTEC-BB SBB0100204-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE5-HYDROXY-3-METHYL-1-PHENYL-4-TRIFLUOROACETYLPYRAZOLE4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE 96+%1-Phenyl-3-methyl-4-(trifluoroacetyl)-1H-pyrazol-5(2H)-one5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one5-METHYL-2-PHENYL-4-(TRIFLUOROACETYL)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE5-methyl-2-phenyl-4-(2,2,2-trifluoro-1-oxoethyl)-3-pyrazol-2-iumone
AKOS024283091AS-73155ST060257CS-0198978D95268F0086233-methyl-1-phenyl-4-trifluoro-acetyl-1h-pyrazol-5-onePyrazol-5(4H)-one, 4-trifluoroacetyl-3-methyl-1-phenyl-
데이터베이스 식별자
- CAS
1691-93-6- PubChem CID
- 608414
- EC Number
- 621-008-6
- Nikkaji
- J235.995B
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 425
물리화학적 성질
- 녹는점
- 145 · 145-148 °C
- 끓는 점
- 377.4 · 377.4±42.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.87 · 2.87±0.70(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Yellow to Orange
- BRN
- 5969762 · 5969762
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29332900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10
화학 및 산업
공급사27 곳
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