CAS 937366-57-9 3-(2,5-Dichloropyrimidin-4-yl)-1H-indole (HCID 56655376)

基本情報

CAS: 937366-57-9
標準SMILES: Clc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIKey: FBEYVYDAVBOFOJ-UHFFFAOYSA-N
分子式: C12H7Cl2N3
平均分子量: 264.11 g/mol
単同位体質量: 263.0017026

名称と識別子

優先名称: 3-(2,5-Dichloropyrimidin-4-yl)-1H-indole
IUPAC: 3-(2,5-dichloropyrimidin-4-yl)-1H-indole
英語名: 3-(2,5-dichloropyriMidin-4-yl)-1H-indole
分子式: C12H7Cl2N3
分子量: 264.11

名称と別名

3-(2,5-Dichloropyrimidin-4-yl)-1H-indole937366-57-9MFCD173928513-(2,5-DICHLORO-4-PYRIMIDINYL)-1H-INDOLESCHEMBL517461SCHEMBL29613520DTXSID90718182FBEYVYDAVBOFOJ-UHFFFAOYSA-NAKOS016006647CS-W0004363-(2,5-Dichloro-4-pyrimidinyl)indoleAS-64598

名称をさらに表示

1H-Indole, 3-(2,5-dichloro-4-pyrimidinyl)-

SY126165DB-3305843-(2,5-dichloro-pyrimidin-4-yl)-1H-indoleW13000EN300-7355635F790500Z3235028906

データベース識別子

CAS: 937366-57-9
PubChem CID: 56655376
DTXSID: DTXSID90718182
EC Number: 117-333-3

物性

構造計算による物性

XLogP: 3.6
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 276

物理化学的性質

貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用3-(2,5-Dichloropyrimidin-4-yl)-1H-indole is used in the preparation 2-(2,4,5-substituted -anilino)pyrimidine derivatives as EGFR modulators useful for the prevention or treatment of a number of different cancers, in particular non-small cell lung cancer.