5-Amino-3-(4-methylphenyl)pyrazole
BUTTPARK 48\12-73 · SALOR-INT L317845-1EA · 3-Amino-5-p-Tolylpyrazole · 3-tosyl-1H-pyrazol-5-amine · 3-P-TOLYL-1H-PYRAZOL-5-AMINE · 5-p-Tolyl-1H-pyrazol-3-amine · 5-AMino-4-(Methylphenyl)pyrazole · 3-Amino-5-(4-methylphenyl)pyrazole
식별자 및 물리적 특성
| CAS No. | 78597-54-3 |
|---|---|
| 분자식 | C10H11N3 |
| 평균 분자량 | 173.21 g/mol |
| 단동위원소 질량 | 173.09529735 g/mol |
| SMILES | Cc1ccc(-c2cc(N)n[nH]2)cc1 |
| InChIKey | GVPFRVKDBZWRCZ-UHFFFAOYSA-N |
| PubChem CID | 736768 |
| ChEMBL | CHEMBL1483289 |
| EC No. | 624-861-2 |
| DTXSID | DTXSID10934221 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 54.7 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 164 |
| 녹는점 | 148-151 °C (lit.) |
| 끓는 점 | 438.0±33.0 °C(Predicted) |
| 밀도 | 1.196±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C(protect from light) |
| pKa(산도 계수) | 14.80±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 황백색까지 |
| InChI | 1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13) |
| InChIKey | GVPFRVKDBZWRCZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)-c2cc(N)[nH]n2 |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2933199090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Amino-3-(4-methylphenyl)pyrazole may be used:As a starting material for preparing 2,5-bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbaldehyde, a potential precursor for building bioactive fused polycyclic pyrazoles. To synthesize 4-hetarylpyrazolo[1,5-a][1,3,5]triazines under microwave conditions and in the absence of solvent.To synthesize 5-cyano-6,7-dihydro-3-(4-methylphenyl)-6-oxo-1H-pyrazolo[3,4-b]pyridine-4-carboxylates by reacting with dialkyl dicyanofumarates.
일반 설명
5-Amino-3-(4-methylphenyl)pyrazole or 5-amino-3-(4-methylphenyl)-1H-pyrazole belongs to a family of 5-aminopyrazole derivatives, which are bioactive agents. They find a wide range of applications in the pharmaceutical and agrochemical industries.