5-アミノ-4-シアノ-3-メチル-1-フェニルピラゾール

5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile

HCID 219858CAS 5346-56-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nn(-c2ccccc2)c(N)c1C#N
InChIKey: VWOYPUVIGCTVSC-UHFFFAOYSA-N
分子式: C11H10N4
平均分子量: 198.22 g/mol
単同位体質量: 198.09054634

名称と識別子

優先名称: 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
IUPAC: 5-amino-3-methyl-1-phenylpyrazole-4-carbonitrile
現地名: 5-アミノ-4-シアノ-3-メチル-1-フェニルピラゾール
英語名: 5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
分子式: C11H10N4
分子量: 198.22

名称と別名

5-amino-3-methyl-1-phenyl-1h-pyrazole-4-carbonitrileDTXSID60277312RefChem:532276DTXCID10228470670-612-65346-56-55-amino-4-cyano-3-methyl-1-phenyl-1h-pyrazole5-AMINO-3-METHYL-1-PHENYLPYRAZOLE-4-CARBONITRILEMFCD001282855-amino-4-cyano-3-methyl-1-phenylpyrazoleNSC16381H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-phenyl-

名称をさらに表示

5-アミノ-4-シアノ-3-メチル-1-フェニルピラゾールTIMTEC-BB SBB0055175-Amino-3-methyl-1-phenyl-1H-pyrazole-4-2,5-dinitro-3-(1H-pyrrol-2-yl)-2H-1,3-benzoxazole

5-amino-3-methyl-1-phenyl-pyrazole-4-carbonitrileSCHEMBL2546236VWOYPUVIGCTVSC-UHFFFAOYSA-NALBB-031042NSC-1638NSC221277SBB005517STL427173

データベース識別子

CAS: 5346-56-5
PubChem CID: 219858
DTXSID: DTXSID60277312
EC Number: 670-612-6
Nikkaji: J2.300.709F

物性

構造計算による物性

XLogP: 2.2
極性表面積: 67.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 263

物理化学的性質

融点: 129 °C · 129 °C
沸点: 408.2 · 408.2±45.0 °C(Predicted)
比重(密度): 1.23 · 1.23±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -0.41 · -0.41±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, P317, 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 3 reports by companies from 3 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (100%)；STOT SE 3 (66.7%)

安全データ

hs_code: 2933199090

化学と産業

応用分野

用途有機合成原料。

サプライヤー24 社

河北凡博医药科技有限公司15588346797

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

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]