기본 정보
- CAS
6407-74-5- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccccc1Cl- InChIKey
YYKCUFRKHHBXON-UHFFFAOYSA-N- 분자식
- C16H13ClN4O
- 평균 분자량
- 312.75 g/mol
- 단동위원소 질량
- 312.0777887
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-one, 4-[2-(2-chlorophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-
- IUPAC
- 4-[(2-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- 영어명
- 4-[(2-chlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- 분자식
- C16H13ClN4O
- 분자량
- 312.75
이름 및 동의어
4-[(2-CHLOROPHENYL)AZO]-2,4-DIHYDRO-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONEDTXSID508637834-((2-Chlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 4-(2-(2-chlorophenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-3H-Pyrazol-3-one, 4-[2-(2-chlorophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-RefChem:505806DTXCID00812362229-039-36407-74-53H-Pyrazol-3-one, 4-((2-chlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-Pyrazol-3-one, 4-[(2-chlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-4-[(E)-(2-chlorophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
이름 더 보기
C.I.12705C.I.Pigment Yellow 60Pigment yellow 60 (C.I. 12705)1-Phenyl-3-methyl-4-(4-chlorophenylazo)-5-pyrazolone3H-Pyrazol-3-one, 4-[(2-chlorophenyl)azo]-2, 4-dihydro-5-methyl-2-phenyl-4-((2-CHLOROPHENYL)DIAZENYL)-5-METHYL-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
EINECS 229-039-3SCHEMBL12760846SCHEMBL12760847SCHEMBL12760849YYKCUFRKHHBXON-UHFFFAOYSA-NSTK382961AKOS005451998NS00046911
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 57.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 끓는 점
- 495.174 · 495.174±40.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.42 g/cm³ · 1.420 g/cm³
- 산도 계수 (pKa)
- 1.299 · 1.299±0.70(predicted)
- EPA
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(2-chlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl- (6407-74-5)
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, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, 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
Regulatory InformationHazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Pyrazol-3-one, 4-[2-(2-chlorophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-: INACTIVE
공급사1 곳
Alfa Chemistry+1-5166625404 · [email protected]
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