5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile

HCID 44134259

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1108745-25-0
標準SMILES: N#Cc1cc(Cc2cc(F)cc(F)c2)ccc1F
InChIKey: RWGYBBYLYLUHJF-UHFFFAOYSA-N
分子式: C14H8F3N
平均分子量: 247.21 g/mol

名称と識別子

優先名称: 5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile
IUPAC: 5-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrile
英語名: 5-(3,5-difluorobenzyl)-2-fluorobenzonitrile
分子式: C14H8F3N
分子量: 247.22

名称と別名

5-(3,5-difluorobenzyl)-2-fluorobenzonitrile1108745-25-0RefChem:529711849-911-25-[(3,5-difluorophenyl)methyl]-2-fluorobenzonitrileMFCD28129097C14H8F3NSCHEMBL3512960SCHEMBL30128532RWGYBBYLYLUHJF-UHFFFAOYSA-NAC2938AKOS028113456

名称をさらに表示

(3,5-difluorobenzyl)-2-fluorobenzonitrileBenzonitrile, 5-[(3,5-difluorophenyl)methyl]-2-fluoro-

DA-38724SY060685CS-01309035-(3,5-Difluoro-benzyl)-2-fluoro-benzonitrileF6080985-[(3,5-difluorophenyl)methyl]-2-fluoro-benzonitrile

データベース識別子

CAS: 1108745-25-0
PubChem CID: 44134259
EC Number: 849-911-2
Nikkaji: J2.720.024I

物性

構造計算による物性

XLogP: 3.9
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 314

物理化学的性質

沸点: 317.2 · 317.2±37.0 °C(Predicted)
比重(密度): 1.29 · 1.29±0.1 g/cm3(Predicted)
貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1A (100%)

安全データ

hs_code: 2926907090

化学と産業

応用分野 · 1 件

使用5-(3,5-difluorobenzyl)-2-fluorobenzonitrile is an intermediates of Entrectinib,we are the manufacturer of this product with high quality and better price.we own a R&D center (1200 square meter),Poilt base and factory under the standard of cGMP.