기본 정보
- CAS
14580-22-4- 표준 SMILES
CC1=NN(c2ccccc2Cl)C(=O)C1- InChIKey
CWESERWNUIUBJU-UHFFFAOYSA-N- 분자식
- C10H9ClN2O
- 평균 분자량
- 208.64 g/mol
- 단동위원소 질량
- 208.0403406
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
- IUPAC
- 2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one
- 영어명
- 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
- 분자식
- C10H9ClN2O
- 분자량
- 208.64
이름 및 동의어
14580-22-43H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-1-(2-Chlorophenyl)-3-methyl-5-pyrazoloneEINECS 238-623-72-(2-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-oneDTXSID3065790RefChem:505787DTXCID8034744238-623-71-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one1-(2-Chlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one2-(2-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
이름 더 보기
AKOS B028754o-chloropyrazoloneTIMTEC-BB SBB003461LABOTEST-BB LT004524135-chloro-4-(phenylmethyl)-3-pyrazolone1-(O-CHLOROPHENYL)-3-METHYL-5-PYRAZOLONE1-(2-CHLOROPHENYL)-3-METHYL-2-PYRAZOLIN&1-(2'-CHLOROPHENYL)-3-METHYL-5-PYRAZOLONE
2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-oneChlorophenylmethylpyrazoloneMFCD00043809AKOS001034474AS-47236EN300-01279F12773Z50146565
데이터베이스 식별자
- CAS
14580-22-4- PubChem CID
- 84534
- DTXSID
DTXSID3065790- EC Number
- 238-623-7
- Nikkaji
- J182.610G
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 277
물리화학적 성질
- 녹는점
- 193 · 193-197 °C (lit.)
- 끓는 점
- 361.6 · 361.6±25.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 2.05 · 2.05±0.50(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- InChI
- 1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
- InChIKey
- CWESERWNUIUBJU-UHFFFAOYSA-N
- SMILES
- CC1=NN(C(=O)C1)c2ccccc2Cl
- EPA
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl- (14580-22-4)
화학적 성질
Light yellow crystalline powder
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 2933.19.4300
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-: ACTIVE
응용 분야
용도1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one may be used in the preparation of 1-(2-chlorophenyl)-3-methylchromeno[2,3-c]pyrazol-4(1H)-one, a heterocyclic analog of xanthone.
상·하류 제품 정보
하류 제품
공급사100 곳
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