3-(3-クロロフェニル)-1H-ピラゾール-5-アミン

3-(3-chlorophenyl)-1H-pyrazol-5-amine

HCID 178507281

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 208519-09-9
標準SMILES: Nc1cc(-c2cccc(Cl)c2)n[nH]1
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
分子式: C9H8ClN3
平均分子量: 193.63 g/mol
単同位体質量: 193.040675

名称と識別子

優先名称: 3-(3-chlorophenyl)-1H-pyrazol-5-amine
IUPAC: 5-(3-chlorophenyl)-1H-pyrazol-3-amine
現地名: 3-(3-クロロフェニル)-1H-ピラゾール-5-アミン
英語名: 3-(3-Chlorophenyl)-1H-pyrazol-5-amine
分子式: C9H8ClN3
分子量: 193.63

名称と別名

208519-09-93-(3-chlorophenyl)-1H-pyrazol-5-amine5-(3-chlorophenyl)-1H-pyrazol-3-amineDTXSID80396872RefChem:491909DTXCID10347731819-600-61H-Pyrazol-3-amine, 5-(3-chlorophenyl)-MFCD026642655-(3-Chloro-phenyl)-2H-pyrazol-3-ylamine5-AMINO-3-(3-CHLOROPHENYL)PYRAZOLE3-Amino-5-(3-chlorophenyl)-1H-pyrazole

名称をさらに表示

3-(3-クロロフェニル)-1H-ピラゾール-5-アミン3-(3-クロロフェニル)-1H-ピラゾール-5-アミン, HCL5-(3-クロロフェニル)-1H-ピラゾール-3-アミンZINC042346905-(3-chlorophenyl)-1H-pyrazole-3-amine[5-(3-chlorophenyl)-1H-pyrazol-3-yl]amine

STK889348AKOS004912490AA-0869AB12106F3379-0346Z3170422403-(3-chlorophenyl)pyrazole-5-ylamine5-Amino-3-(3-chlorophenyl)-1H-pyrazole

データベース識別子

CAS: 208519-09-9
PubChem CID: 3820802

物性

構造計算による物性

XLogP: 2.2
極性表面積: 54.7 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 176

物理化学的性質

融点: 138 · 138-140°C
貯蔵温度: 2 · 2-8°C
外見: solid
InChI: 1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey: HLKDVENNWRMMOS-UHFFFAOYSA-N
SMILES: Nc1cc(n[nH]1)-c2cccc(Cl)c2

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

安全データ

wgk: WGK 3
hs_code: 2933199090
risk_code: 22
hazard_code: Xi,Xn
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

化合物ノート

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