(4-(4-(4-Dimethylaminobenzyliden-1-yl)-3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

HCID 776848

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 117573-89-4
표준 SMILES: CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccc(N(C)C)cc1
InChIKey: UULQWQZZJJLJPF-UHFFFAOYSA-N
분자식: C20H19N3O3
평균 분자량: 349.4 g/mol
단동위원소 질량: 349.14264147

이름 및 식별자

우선 이름: (4-(4-(4-Dimethylaminobenzyliden-1-yl)-3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
IUPAC: 4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
영어명: (4-(4-(4-dimethylaminobenzyliden-1-yl)-3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
분자식: C20H19N3O3
분자량: 349.38

이름 및 동의어

117573-89-44-[4-[[4-(Dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid4-(4-((4-(Dimethylamino)phenyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoic acidRefChem:402088EC 410-430-4(4-(4-(4-DIMETHYLAMINOBENZYLIDEN-1-YL)-3-METHYL-5-OXO-2-PYRAZOLIN-1-YL)BENZOIC ACID410-430-4SCHEMBL5706389DTXSID9011161401-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one4-(4-{[4-(Dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acidBenzoic acid, 4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

데이터베이스 식별자

CAS: 117573-89-4
PubChem CID: 776848
DTXSID: DTXSID901116140
EC Number: 410-430-4

물성

구조 계산 물성

XLogP: 3
극성 표면적: 73.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 26
형식 전하: 0
복잡도: 610

물리화학적 성질

녹는점: 310 °C · >310 °C
끓는 점: 569.6 · 569.6±60.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
산도 계수 (pKa): 4.26 · 4.26±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9203

Hazard Classes and Categories · 2건

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

안전 데이터

tsca: TSCA listed
risk_code: 53
safety_code: 61

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-: ACTIVE

공급사2 곳

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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