4-(4-メトキシフェニル)-1H-ピラゾール

4-(4-methoxyphenyl)-1H-pyrazole

HCID 3596751

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 111016-45-6
標準SMILES: COc1ccc(-c2cn[nH]c2)cc1
InChIKey: ULHLFXBETPFBLH-UHFFFAOYSA-N
分子式: C10H10N2O
平均分子量: 174.2 g/mol
単同位体質量: 174.07931295

名称と識別子

優先名称: 4-(4-methoxyphenyl)-1H-pyrazole
IUPAC: 4-(4-methoxyphenyl)-1H-pyrazole
現地名: 4-(4-メトキシフェニル)-1H-ピラゾール
英語名: 4-(4-Methoxyphenyl)-1H-pyrazole
分子式: C10H10N2O
分子量: 174.2

名称と別名

4-(4-methoxyphenyl)-1H-pyrazole111016-45-6RefChem:514319845-588-7MFCD03646977SCHEMBL1186757SCHEMBL5386107ULHLFXBETPFBLH-UHFFFAOYSA-NLEA01645AKOS006278377AB15671BS-26467

名称をさらに表示

4-(4-メトキシフェニル)-1H-ピラゾール1H-Pyrazole, 4-(4-methoxyphenyl)-

DA-15515G24162EN300-1723690F955552Z1198162998

データベース識別子

CAS: 111016-45-6
PubChem CID: 3596751
EC Number: 845-588-7
Nikkaji: J854.802A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 37.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 211 · 211-213 °C
沸点: 374.7 · 374.7±35.0 °C(Predicted)
比重(密度): 1.159 · 1.159±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 14.45 · 14.45±0.50(Predicted)
外見: solid
InChI: 1S/C10H10N2O/c1-13-10-4-2-8(3-5-10)9-6-11-12-7-9/h2-7H,1H3,(H,11,12)
InChIKey: ULHLFXBETPFBLH-UHFFFAOYSA-N
SMILES: COC1=CC=C(C=C1)C2=CNN=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
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー9 社

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

化合物ノート

読み込み中…