4-ブロモ-3-(トリフルオロメチル)フェノール

4-Bromo-3-(trifluoromethyl)phenol

HCID 22277307

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 320-49-0
標準SMILES: Oc1ccc(Br)c(C(F)(F)F)c1
InChIKey: VOWPIDJSINRFPZ-UHFFFAOYSA-N
分子式: C7H4BrF3O
平均分子量: 241 g/mol
単同位体質量: 239.93976

名称と識別子

優先名称: 4-Bromo-3-(trifluoromethyl)phenol
IUPAC: 4-bromo-3-(trifluoromethyl)phenol
現地名: 4-ブロモ-3-(トリフルオロメチル)フェノール
英語名: 4-Bromo-3-(trifluoromethyl)phenol
分子式: C7H4BrF3O
分子量: 241.01

名称と別名

4-bromo-3-(trifluoromethyl)phenol320-49-0DTXSID00624200RefChem:290826DTXCID60574954695-965-32-bromo-5-hydroxybenzotrifluorideMFCD030953424-Bromo-3-trifluoromethylphenol3-Trifluoromethyl-4-bromophenolPhenol, 4-bromo-3-(trifluoromethyl)-BTFP

名称をさらに表示

4-ブロモ-3-(トリフルオロメチル)フェノール2-ブロモ-5-ヒドロキシベンゾトリフルオリド4-bromo-3-trifluromethylphenol3-TRIFLUOROMETHYL-4-BROMO PHENOLPhenol,4-bromo-3-(trifluoromethyl)-4-BROMO-3-TRIFLUOROMETHYLPHENOL 98%2-Bromo-5-hydroxybenzotrifluoride99%2-Bromo-5-hydroxybenzotrifluoride 99%4-Bromo-3-(trifluoromethyl)phenol >4-Bromo-3-(trifluoromethyl)phenol,98%

SCHEMBL177740SCHEMBL2094452SCHEMBL295096724-bromo-3-trifluoromethyl-phenolCL8501SBB099360AKOS005256293AC-4118

データベース識別子

CAS: 320-49-0
PubChem CID: 22277307
DTXSID: DTXSID00624200
EC Number: 695-965-3

物性

構造計算による物性

XLogP: 3.1
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 159

物理化学的性質

融点: 44 · 44-46°C
沸点: 61 · 61-63 °C(Press: 3.5-4.0 Torr)
比重(密度): 1.752 · 1.752±0.06 g/cm3(Predicted)
闪点: 110 ° · >110°(230°F)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
酸解離定数(Pka): 8.39 · 8.39±0.18(Predicted)
外見: 個体
色: 黄色
InChI: InChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKey: VOWPIDJSINRFPZ-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C(C(F)(F)F)=C1
CAS データベース: 320 · 320-49-0(CAS DataBase Reference)

化学的性質

化学的特性light yellow crystalline powder

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 (96.8%): 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 31 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.