CAS 252340-70-8 3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)aniline (HCID 21876638)

基本情報

CAS: 252340-70-8
標準SMILES: Cc1cn(-c2ccc(N)cc2F)cn1
InChIKey: XUDKNXYCYIYBIG-UHFFFAOYSA-N
分子式: C10H10FN3
平均分子量: 191.2 g/mol
単同位体質量: 191.08587554

名称と識別子

優先名称: 3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)aniline
IUPAC: 3-fluoro-4-(4-methylimidazol-1-yl)aniline
英語名: 3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzenamine
分子式: C10H10FN3
分子量: 191.2

名称と別名

252340-70-83-fluoro-4-(4-methyl-1H-imidazol-1-yl)anilineDTXSID20619259RefChem:279396DTXCID205700133-FLUORO-4-(4-METHYL-1H-IMIDAZOL-1-YL)BENZENAMINE3-fluoro-4-(4-methylimidazol-1-yl)aniline3-fluoro-4-(4-methyl-1-imidazolyl)anilineMFCD09834628SCHEMBL1616928XUDKNXYCYIYBIG-UHFFFAOYSA-NAC5735

名称をさらに表示

3-fluoro-4-(4-methylimidazole)benzenamine[3-Fluoro-4-(4-methylimidazol-1-yl)phenyl]amineBenzenamine, 3-fluoro-4-(4-methyl-1H-imidazol-1-yl)-

AKOS005258734SY233133CS-00020205-Amino-2-(4-methylimidazol-1-yl)fluorobenzene3-Fluoro-4-(4-methyl-imidazol-1-yl)-phenylamine5-Amino-2-(4-methyl-imidazol-1-yl)fluorobenzene

データベース識別子

CAS: 252340-70-8
PubChem CID: 21876638
DTXSID: DTXSID20619259
EC Number: 810-457-5

物性

構造計算による物性

XLogP: 1.5
極性表面積: 43.8 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: 14
形式電荷: 0
複雑度: 200

物理化学的性質

沸点: 371.1 · 371.1±37.0 °C(Predicted)
比重(密度): 1.26 · 1.26
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 6.16 · 6.16±0.61(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.