CAS 61272-72-8 5-fluoro-1H-indazol-3-amine (HCID 4327896)

基本情報

CAS: 61272-72-8
標準SMILES: Nc1n[nH]c2ccc(F)cc12
InChIKey: UWLBVJRYQQUECL-UHFFFAOYSA-N
分子式: C7H6FN3
平均分子量: 151.14 g/mol
単同位体質量: 151.05457537

名称と識別子

優先名称: 5-fluoro-1H-indazol-3-amine
IUPAC: 5-fluoro-1H-indazol-3-amine
現地名: 5-フルオロ-1H-インダゾール-3-アミン
英語名: 5-fluoro-1H-indazol-3-amine
分子式: C7H6FN3
分子量: 151.14

名称と別名

5-fluoro-1H-indazol-3-amine61272-72-8DTXSID90401981RefChem:303097DTXCID20352836877-459-65-fluoro-1H-indazol-3-ylamine3-AMINO-5-FLUORO-1H-INDAZOLE1H-Indazol-3-amine, 5-fluoro-MFCD034266995-Fluoro-2h-indazol-3-ylamine5-fluoro-1H-indazole-3-ylamine

名称をさらに表示

5-フルオロ-1H-インダゾール-3-アミン

AE-413/25046012SCHEMBL7856495-Fluoro-2H-indazol-3-amine5-fluoro-1H-indazole-3-amineSCHEMBL11966963-AMINO-5-FLUOROINDAZOLEUWLBVJRYQQUECL-UHFFFAOYSA-NSBB086767

データベース識別子

CAS: 61272-72-8
PubChem CID: 4327896
DTXSID: DTXSID90401981
EC Number: 877-459-6

物性

構造計算による物性

XLogP: 1.3
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: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 165 · 165-167°
沸点: 379.3 · 379.3±22.0 °C(Predicted)
比重(密度): 1.487 · 1.487±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 13.8 · 13.80±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.