2-ブロモ-5-フルオロベンゾトリフルオリド

2-Bromo-5-fluorobenzotrifluoride

HCID 520983CAS 40161-55-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1ccc(Br)c(C(F)(F)F)c1
InChIKey: AIDVAZGOACECLJ-UHFFFAOYSA-N
分子式: C7H3BrF4
平均分子量: 243 g/mol
単同位体質量: 241.93542508

名称と識別子

優先名称: 2-Bromo-5-fluorobenzotrifluoride
IUPAC: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene
現地名: 2-ブロモ-5-フルオロベンゾトリフルオリド
英語名: 2-Bromo-5-fluorobenzotrifluoride
分子式: C7H3BrF4
分子量: 243

名称と別名

2-Bromo-5-fluorobenzotrifluoride40161-55-5DTXSID20334516RefChem:85770DTXCID30285606670-304-1AIDVAZGOACECLJ-UHFFFAOYSA-N1-Bromo-4-fluoro-2-(trifluoromethyl)benzeneMFCD000409371-bromo-2-(trifluoromethyl)-4-fluorobenzene4-fluoro-2-(trifluoromethyl)bromobenzeneBENZENE, 1-BROMO-4-FLUORO-2-(TRIFLUOROMETHYL)-

名称をさらに表示

2-ブロモ-5-フルオロベンゾトリフルオリド2-ブロモ-5-フルオロベンゾトリフルオライド2-ブロモ-5-フルオロベンゾトリフルオライド臭化物1-ブロモ-4-フルオロ-2-(トリフルオロメチル)ベンゼン2-ブロモ-α,α,α,5-テトラフルオロトルエン2-ブロモ-5-フルオロベンゾトリフルオリド, 97%5-(N-hydroxyethy0)-amino5-fluoro-2-bromobenzoTrifluoride2-bromo-5-fluorotrifluorotoluene2-Bromo-Α,Α,Α,5-Tetrafluorotoluene2-Bromo-5-fluorobenzotrifluoride 97%2-Bromo-5-fluorobenzotrifluoride >2-Bromo-5-fluorobenzotrifluoride, 97+%2-Bromo-5-fluoro-α,α,α-trifluorotoluene

2-Bromo-alpha,alpha,alpha,5-tetrafluorotolueneSCHEMBL624437SCHEMBL295721642-bromo-5-fluoro benzotrifluoride2-bromo-5-fluoro-benzotrifluoride2-bromo-5-fluorobenzo trifluorideSBB099651AKOS005254951

データベース識別子

CAS: 40161-55-5
PubChem CID: 520983
DTXSID: DTXSID20334516
EC Number: 670-304-1
Nikkaji: J3.542.511J

物性

構造計算による物性

XLogP: 3.6
極性表面積: 0 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: 0
重原子数: 12
形式電荷: 0
複雑度: 156

物理化学的性質

沸点: 136 · 136-143 °C(lit.)
比重(密度): 1.695 g/mL · 1.695 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.465(lit.)
闪点: 147 °F · 147 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
BRN: 2643544 · 2643544
InChI: InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
InChIKey: AIDVAZGOACECLJ-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(F)C=C1C(F)(F)F
CAS データベース: 40161 · 40161-55-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Bromo-5-fluorobenzotrifluoride(40161-55-5)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38-20/21/22
消防法: 危-4-2-III
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37-36
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用2-Bromo-5-fluorobenzotrifluoride is an organofluorobenzene compound mainly used as an organic reagent and pharmaceutical intermediate, and can be used as a starting material for the preparation of HSD-016. HSD-016 inhibits 11β-hydroxysteroid dehydrogenase (11β-HSD1) to convert cortisone into cortisol for the development of drugs for the treatment of type 2 diabetes.