2-(4-ブロモフェニル)-6-メチルイミダゾ[1,2-A]ピリジン

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

HCID 837893

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1023-01-4
標準SMILES: Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
分子式: C14H11BrN2
平均分子量: 287.15 g/mol
単同位体質量: 286.01056

名称と識別子

優先名称: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
IUPAC: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
現地名: 2-(4-ブロモフェニル)-6-メチルイミダゾ[1,2-A]ピリジン
英語名: 2-(4-Bromophenyl)-6-methylimidazo(1,2-a&
分子式: C14H11BrN2
分子量: 287.15

名称と別名

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridineDTXSID403569322-(4-Bromophenyl)-6-methylimidazo(1,2-a)pyridineRefChem:457097DTXCID10307991622-470-11023-01-4MFCD00444784Imidazo[1,2-a]pyridine, 2-(4-bromophenyl)-6-methyl-CHEMBL78765MLS001203476BDBM50122788

名称をさらに表示

2-(4-ブロモフェニル)-6-メチルイミダゾ[1,2-A]ピリジン2-(4-ブロモフェニル)-6-メチルイミダゾ[1,2-a]ピリジン, 97%2-(4-Bromophenyl)-6-methylimidazo[1,2-aa]pyridineJR-6930, 2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridine, 97%

2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridineAS-68952F1018-04032-(4-bromo-phenyl)-6-methyl-imidazo [1,2-a] pyridineOprea1_68BAS 00600998Oprea1_232242

データベース識別子

CAS: 1023-01-4
PubChem CID: 837893
DTXSID: DTXSID40356932
ChEMBL: CHEMBL78765
EC Number: 622-470-1
Nikkaji: J2.170.159I

物性

構造計算による物性

XLogP: 4.5
極性表面積: 17.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 263

実験および物理化学的性質

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 214 · 214-218 °C
比重(密度): 1.43 · 1.43±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 6.78 · 6.78±0.50(Predicted)
外見: solid
InChI: 1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3

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)

Aggregated GHS information provided per 43 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー44 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

化合物ノート

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