기본 정보
- CAS
321-07-3- 표준 SMILES
O=C1CC(C(F)(F)F)=NN1c1ccccc1- InChIKey
GLGRRRKQSFURGD-UHFFFAOYSA-N- 분자식
- C10H7F3N2O
- 평균 분자량
- 228.17 g/mol
- 단동위원소 질량
- 228.05104734
이름 및 식별자
- 우선 이름
- 1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
- 현지명
- 1-페닐-3-(트리플루오로메틸)-2-PYRAZOLIN-5-ONE
- 영어명
- 1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one
- 분자식
- C10H7F3N2O
- 분자량
- 228.17
이름 및 동의어
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-oneRefChem:435625681-809-1321-07-31-phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-oneMFCD000516552-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one1-Phenyl-3-trifluoromethyl-2-pyrazolin-5-oneF1443-7490Maybridge4_000200
이름 더 보기
1-페닐-3-(트리플루오로메틸)-2-PYRAZOLIN-5-ONEBUTTPARK 12\05-691-phenyl-3-(trifluoromethyl)-43-trifluoromethyl-1-phenyl-1H-5-Pyrazolone1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one97%1-Phenyl-3-(trifluoromethyl)-2-pyrazolin-5-one 97%
SCHEMBL178857CHEMBL223006DTXSID30349914HMS1521J02SMSSF-0041179EBC-04113STK042259AKOS000489510
데이터베이스 식별자
- CAS
321-07-3- PubChem CID
- 668302
- DTXSID
DTXSID30349914- ChEMBL
CHEMBL223006- EC Number
- 681-809-1
- Nikkaji
- J1.025.832D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 319
물리화학적 성질
- 녹는점
- 195 · 195-196°C
- 끓는 점
- 278.7 · 278.7±40.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- -0.22 · -0.22±0.50(Predicted)
- 색상
- Faint beige
- BRN
- 655085 · 655085
- InChI
- InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- GLGRRRKQSFURGD-UHFFFAOYSA-N
- SMILES
- N1=C(C(F)(F)F)CC(=O)N1C1=CC=CC=C1
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 5 reports by companies from 2 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
- HS 번호
- 2933119000
- risk_code
- 36/37/38-36-25
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- 위험 참고 사항
- Irritant
화학 및 산업
공급사44 곳
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