에틸2-(4-니트로페닐)-3-(트리플루오로메틸)피라졸-4-카르복실레이트
Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
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기본 정보
- CAS
175137-35-6- 표준 SMILES
CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F- InChIKey
QNUASRIZVSLLGS-UHFFFAOYSA-N- 분자식
- C13H10F3N3O4
- 평균 분자량
- 329.23 g/mol
- 단동위원소 질량
- 329.06234046
이름 및 식별자
- 우선 이름
- Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
- 현지명
- 에틸2-(4-니트로페닐)-3-(트리플루오로메틸)피라졸-4-카르복실레이트
- 영어명
- ETHYL 2-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLATE
- 분자식
- C13H10F3N3O4
- 분자량
- 329.23
이름 및 동의어
175137-35-6Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateDTXSID50371919RefChem:341988DTXCID60322952623-918-9ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylateethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylateMFCD001738681H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-, ethyl esterEthyl 2-(4-nitrophenyl)-3-(trifluoromethyl)-pyrazole-4-carboxylateMaybridge1_003926
이름 더 보기
에틸2-(4-니트로페닐)-3-(트리플루오로메틸)피라졸-4-카르복실레이트BUTTPARK 146\18-06ETHYL 1-(4-NITROPHENYL)-5-(TRIFLUOROMET&Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)-Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazoleEthyl 2-(4-Nitrophenyl)-3-(Trifluoromethyl)Pyrazole-4-CarboEthyl2-(4-nitrophenyl)-3-(trifluoromethyl)-pyrazole-4-carboxylaEthyl2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate97%ETHYL 2-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL) -N PYRAZOLE-4-CARBOXYLATE
SCHEMBL6070165HMS552K10Ethyl 5-(trifluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylateAKOS015833409SB74720AS-73934DB-044053CS-0151854
데이터베이스 식별자
- CAS
175137-35-6- PubChem CID
- 2737215
- DTXSID
DTXSID50371919- EC Number
- 623-918-9
- Nikkaji
- J2.976.405K
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 89.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 447
물리화학적 성질
- 녹는점
- 106 · 106-110 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- InChI
- 1S/C13H10F3N3O4/c1-2-23-12(20)10-7-17-18(11(10)13(14,15)16)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3
- InChIKey
- QNUASRIZVSLLGS-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cnn(-c2ccc(cc2)[N+]([O-])=O)c1C(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 4 (90.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29331990
- risk_code
- 22-36
- hazard_code
- Xn,Xi
- safety_code
- 26
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
하류 제품
관련 반응
3건
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