기본 정보
- CAS
30926-22-8- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1- InChIKey
RCYTWTBFGNSMQC-UHFFFAOYSA-N- 분자식
- C17H14N4O3
- 평균 분자량
- 322.32 g/mol
- 단동위원소 질량
- 322.10659032
이름 및 식별자
- 우선 이름
- 4-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoic acid
- IUPAC
- 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
- 영어명
- 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
- 분자식
- C17H14N4O3
- 분자량
- 322.32
이름 및 동의어
4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]BENZOIC ACIDDTXSID908854894-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoic acidBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-Benzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-RefChem:509253DTXCID401024865250-392-430926-22-8Benzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-BRN 0895994
이름 더 보기
4-[(3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]benzoic acid
EINECS 250-392-44-((3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-4-YL)DIAZENYL)BENZOIC ACID4-[(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid1-Phenyl-3-methyl-4-(2-carboxyphenylazo)-5(4H)-pyrazolonep-((3-Methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoic acidRCYTWTBFGNSMQC-UHFFFAOYSA-NRCYTWTBFGNSMQC-VHEBQXMUSA-NSTK382958
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 94.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 546
물리화학적 성질
- EPA
- 4 · Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]- (30926-22-8)
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]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-: ACTIVE
공급사1 곳
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