4-ブロモ-2,6-ジフルオロアニソール

4-Bromo-2,6-difluoroanisole

HCID 2773287

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 104197-14-0
標準SMILES: COc1c(F)cc(Br)cc1F
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
分子式: C7H5BrF2O
平均分子量: 223.01 g/mol
単同位体質量: 221.94918

名称と識別子

優先名称: 4-Bromo-2,6-difluoroanisole
IUPAC: 5-bromo-1,3-difluoro-2-methoxybenzene
現地名: 4-ブロモ-2,6-ジフルオロアニソール
英語名: 4-Bromo-2,6-difluoroanisole
分子式: C7H5BrF2O
分子量: 223.01

名称と別名

4-Bromo-2,6-difluoroanisole104197-14-0DTXSID20378339RefChem:98037DTXCID20329366642-791-05-Bromo-1,3-difluoro-2-methoxybenzeneMFCD016313515-bromo-1,3-difluoro-2-methoxy-benzene4-bromo-2,6-difluorophenyl methyl etherBenzene, 5-bromo-1,3-difluoro-2-methoxy-4-bromo-2,6-difluoranisole

名称をさらに表示

4-ブロモ-2,6-ジフルオロアニソールCAS:104197-14-04-Bromo-2,6-difluoroanisole98%4-Bromo-2,6-difluoroanisole >4-Bromo-2,6-difluoroanisole 98%4-bromo-2, 6-difluorophenyl ether4-Bromo-2,6-difluoroanisole, 97+%

SCHEMBL109864-bromo-2,6-difluoro-anisol3,5-difluoro-4-methoxy-bromobenzeneSBB096414AKOS015835523CS-W0131041-Bromo-3,5-difluoro-4-methoxybenzenePS-10172

データベース識別子

CAS: 104197-14-0
PubChem CID: 2773287
DTXSID: DTXSID20378339
EC Number: 642-791-0
Nikkaji: J1.302.328J

物性

構造計算による物性

XLogP: 2.8
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 122

物理化学的性質

沸点: 80 · 80-100°C 15mm
比重(密度): 1.65 · 1.65
屈折率: 1.51 · 1.5100
闪点: 80 · 80-100°C/15mm
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: clear liquid
色: Light yellow to Brown
水溶解度: 水に不溶。
InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
SMILES: C1(F)=CC(Br)=CC(F)=C1OC
CAS データベース: 104197 · 104197-14-0(CAS DataBase Reference)

化学的性質

化学的特性light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 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.