CAS 1572-10-7 3-Amino-5-phenylpyrazole (HCID 136655)

名称と識別子

優先名称: 3-Amino-5-phenylpyrazole
IUPAC: 5-phenyl-1H-pyrazol-3-amine
現地名: 3-アミノ-5-フェニルピラゾール
英語名: 3-Amino-5-phenylpyrazole
分子式: C9H9N3
分子量: 159.19

名称と別名

3-Phenyl-1H-pyrazol-5-amine3-Amino-5-phenylpyrazoleRefChem:497432626-099-6673-954-41572-10-75-phenyl-1H-pyrazol-3-amine827-41-85-Amino-3-phenylpyrazole1H-Pyrazol-3-amine, 5-phenyl-MFCD001917495-Phenyl-2H-pyrazol-3-ylamine

名称をさらに表示

3-アミノ-5-フェニルピラゾール3‐アミノ‐5‐フェニルピラゾール3-アミノ-5-フェニル-1H-ピラゾール3-フェニル-1H-ピラゾール-5-アミン5-アミノ-3-フェニルピラゾール5-フェニル-1H-ピラゾール-3-アミン5-フェニル-2H-ピラゾール-3-イルアミンAKOS 92617AKOS B003768BUTTPARK 30\09-86TIMTEC-BB SBB005555SALOR-INT L317837-1EALABOTEST-BB LT000806565-amino-3-phenyl-pyrazol

1h-pyrazol-5-amine, 3-phenyl-5-phenyl-1h-pyrazol-3-ylamineCHEMBL16502694-25-00-02617 (Beilstein Handbook Reference)BBL013022CS-W021972HY-W041232AA-0871

データベース識別子

CAS: 1572-10-7、827-41-8
PubChem CID: 136655
DTXSID: DTXSID80935629
ChEMBL: CHEMBL1650269
EC Number: 626-099-6、673-954-4
Nikkaji: J593.495H、J884.051B

物性

構造計算による物性

XLogP: 1.5
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: 12
形式電荷: 0
複雑度: 143

物理化学的性質

融点: 124 · 124-127 °C (lit.)
沸点: 442.3 · 442.3±33.0 °C(Predicted)
比重(密度): 1.238 · 1.238±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO、メタノール
酸解離定数(Pka): 14.8 · 14.80±0.10(Predicted)
外見: 粉末または結晶
色: 赤から茶色
BRN: 4947 · 4947
InChI: 1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
InChIKey: PWSZRRFDVPMZGM-UHFFFAOYSA-N
SMILES: Nc1cc([nH]n1)-c2ccccc2
CAS データベース: 1572 · 1572-10-7(CAS DataBase Reference)

化学的性質

化学的特性Off-white to cream colored crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 7 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 Categories · 2 件

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: UQ6109000
毒性: mouse,LDLo,intraperitoneal,630mg/kg (630mg/kg),Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.
hs_code: 29331990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用3-Amino-5-phenylpyrazole ((3-phenyl-1H-pyrazol-5-amine) may be used in the synthesis of the following:Urea derivatives by reaction with azido(6-(benzofuran-2-yl)-2-methylpyridin-3-yl) methanone.2-Mercaptoacetamide analogs by treating with thioglycolic acid.3-(Substituentpyrimidayl)-5,6-benzocoumarins by treating with 3-(2′-formyl-1′-chlorovinyl)-5,6-benzocoumarin.Substituted 2,7-diphenylpyrazolo[1,5-a]pyrimidine-5-carboxylic esters by reacting with substituted β-diketo esters.N-ethoxycarbonylthiourea derivative by reacting with ethoxycarbonyl isothiocyanate.Heterobiaryl pyrazolo[3,4-b]pyridines by reacting with indole-3-carboxaldehyde.

一般的な説明3-Amino-5-phenylpyrazole (3-phenyl-1H-pyrazol-5-amine), an amino pyrazole derivative, is an aza-heterocyclic amine. It has been reported to be synthesized by heating either 3-amino-4-bromo- or 3-amino-5-phenylisothiazole in the presence of anhydrous hydrazine. On reaction with ZnCl2 it affords chlorido-tris(3-amino-5-phenyl-1Hpyrazole-N2)zinc (II) chloride.