기본 정보
- CAS
6123-63-3- 표준 SMILES
CC(=O)c1cnn(-c2ccccc2)c1C- InChIKey
FZEDJUVQMGBVRC-UHFFFAOYSA-N- 분자식
- C12H12N2O
- 평균 분자량
- 200.24 g/mol
- 단동위원소 질량
- 200.09496301
이름 및 식별자
- 우선 이름
- 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
- IUPAC
- 1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
- 현지명
- 4-아세틸-5-메틸-1-페닐피라졸
- 영어명
- 4-Acetyl-5-methyl-1-phenylpyrazole
- 분자식
- C12H12N2O
- 분자량
- 200.24
이름 및 동의어
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-oneEINECS 228-091-4DTXSID00210142NSC 140728RefChem:426559DTXCID00132633228-091-46123-63-31-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone4-acetyl-5-methyl-1-phenylpyrazole1-(5-methyl-1-phenylpyrazol-4-yl)ethanone1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone
이름 더 보기
4-아세틸-5-메틸-1-페닐피라졸BUTTPARK 37\08-424-Acetyl-5-methyl-1-phenylpyrazole,97%METHYL 5-METHYL-1-PHENYLPYRAZOLE-4-YL KETONEJR-8751, 4-Acetyl-5-methyl-1-phenylpyrazole, 97%
4-Acetyl-5-methyl-1-phenyl-1H-pyrazoleMFCD000207331-(5-methyl-1-phenyl-pyrazol-4-yl)ethanoneNSC-140728Ethanone, 1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-Methyl 5-methyl-1-phenyl-4-pyrazolyl ketoneNSC140728Maybridge1_003233
데이터베이스 식별자
- CAS
6123-63-3- PubChem CID
- 80207
- DTXSID
DTXSID00210142- ChEMBL
CHEMBL1448664- UNII
- 4K2AC94LV5
- EC Number
- 228-091-4
- Nikkaji
- J227.305E
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 34.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 236
물리화학적 성질
- 녹는점
- 103 · 103-105°C
- 끓는 점
- 328.9 · 328.9±22.0 °C(Predicted)
- 밀도
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.18 · -2.18±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (88.4%)
안전 데이터
- HS 번호
- 2933199090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 위험 등급
- IRRITANT
화학 및 산업
공급사23 곳
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