5-Amino-3-(4-methylphenyl)pyrazole

HCID 736768CAS 78597-54-3

기본 정보

표준 SMILES: Cc1ccc(-c2cc(N)n[nH]2)cc1
InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N
분자식: C10H11N3
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.09529735

이름 및 식별자

우선 이름: 5-Amino-3-(4-methylphenyl)pyrazole
IUPAC: 5-(4-methylphenyl)-1H-pyrazol-3-amine
영어명: 5-AMINO-3-(4-METHYLPHENYL)PYRAZOLE
분자식: C10H11N3
분자량: 173.21

이름 및 동의어

5-Amino-3-(4-methylphenyl)pyrazole5-(4-methylphenyl)-1h-pyrazol-3-amineRefChem:532243624-861-278597-54-35-(P-tolyl)-1H-pyrazol-3-amine3-Amino-5-(4-methylphenyl)-1H-pyrazole151293-15-1895042-38-33-Amino-5-p-Tolylpyrazole3-(4-methylphenyl)-1H-pyrazol-5-amine1H-Pyrazol-3-amine, 5-(4-methylphenyl)-

이름 더 보기

BUTTPARK 48\12-73SALOR-INT L317845-1EA3-tosyl-1H-pyrazol-5-amine5-p-Tolyl-1H-pyrazol-3-amine5-AMino-4-(Methylphenyl)pyrazole3-Amino-5-(4-methylphenyl)pyrazole

MFCD000848873-p-tolyl-1h-pyrazol-5-amine5-(4-methylphenyl)-2H-pyrazol-3-amineBAS 00705173SCHEMBL1143959HMS1501F20AB031623-(4-methylphenyl)pyrazole-5-ylamine

데이터베이스 식별자

CAS: 78597-54-3
PubChem CID: 736768
DTXSID: DTXSID10934221
ChEMBL: CHEMBL1483289
EC Number: 624-861-2
Nikkaji: J1.717.398G、J938.772B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 54.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 164

물리화학적 성질

녹는점: 148 · 148-151 °C (lit.)
끓는 점: 438 · 438.0±33.0 °C(Predicted)
밀도: 1.196 · 1.196±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 14.8 · 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

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-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 설명5-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.

공급사45 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

연결된 노트

불러오는 중…