3-アミノ-5-(トリフルオロメチル)-1H-インダゾール

Bay-H-1127

HCID 16736CAS 2250-53-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1n[nH]c2ccc(C(F)(F)F)cc12
InChIKey: ZXZTZRVCWTWKCH-UHFFFAOYSA-N
分子式: C8H6F3N3
平均分子量: 201.15 g/mol
単同位体質量: 201.05138169

名称と識別子

優先名称: Bay-H-1127
IUPAC: 5-(trifluoromethyl)-1H-indazol-3-amine
現地名: 3-アミノ-5-(トリフルオロメチル)-1H-インダゾール
英語名: BAY h 1127
分子式: C8H6F3N3
分子量: 201.15

名称と別名

5-(Trifluoromethyl)-1H-indazol-3-amineBAY h 11273-Amino-5-(trifluoromethyl)-1H-indazole1H-Indazol-3-amine, 5-(trifluoromethyl)-14HRX76GHKBay-H-1127BRN 09590703-amino-5-trifluoromethylindazole1H-Indazole, 3-amino-5-(trifluoromethyl)-UNII-14HRX76GHKDTXSID60177025RefChem:199716

名称をさらに表示

3-アミノ-5-(トリフルオロメチル)-1H-インダゾール5-(トリフルオロメチル)-1H-インダゾール-3-アミン[5-(trifluoromethyl)-1H-indazol-3-yl]amine3-Amino-5-(trifluoromethyl)-1H-indazole95%3-Amino-5-(trifluoromethyl)-1H-indazole,97%3-Amino-5-(trifluoromethyl)-1H-indazole 95%3-Amino-5-(trifluoromethyl)-1H-indazole, 95%5-(trifluoromethyl)-1H-indazol-3-amine - [T85341]

DTXCID60995161H-Indazol-3-amine, 5-(trifluoromethyl)-(9CI)2250-53-5MFCD017197405-(trifluoromethyl)-1H-indazole-3-ylamine5-(trifluoromethyl)-1H-indazole-3-amine1H-Indazol-3-amine, 5-(trifluoromethyl)- (9CI)orb3022501

データベース識別子

CAS: 2250-53-5
PubChem CID: 16736
DTXSID: DTXSID60177025
UNII: 14HRX76GHK
EC Number: 642-780-0

物性

構造計算による物性

XLogP: 2.1
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: 5
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 114 · 114-118°
沸点: 358.5 · 358.5±37.0 °C(Predicted)
比重(密度): 1.536 · 1.536±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
外見: 結晶性粉末
酸解離定数(Pka): 13.51 · 13.51±0.40(Predicted)
色: 白から黄色

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.