2-ブロモ-5-フルオロアニリン

2-Bromo-5-fluoroaniline

HCID 2773317

基本情報

CAS
1003-99-2
標準SMILES
Nc1cc(F)ccc1Br
InChIKey
FWTXFEKVHSFTDQ-UHFFFAOYSA-N
分子式
C6H5BrFN
平均分子量
190.01 g/mol
単同位体質量
188.95893948

名称と識別子

優先名称
2-Bromo-5-fluoroaniline
IUPAC
2-bromo-5-fluoroaniline
現地名
2-ブロモ-5-フルオロアニリン
英語名
2-Bromo-5-fluoroaniline
分子式
C6H5BrFN
分子量
190.01

名称と別名

2-Bromo-5-fluoroaniline1003-99-22-bromo-5-fluorobenzenamineDTXSID50378367RefChem:466832DTXCID50329394600-091-2benzenamine, 2-bromo-5-fluoro-2-bromo-5-fluoro-anilineMFCD000707505-fluoro-2-bromoaniline2-Bromo-5-fluoro aniline
名称をさらに表示
2-ブロモ-5-フルオロアニリン2‐ブロモ‐5‐フルオロアニリン2-Bromo-5-fluoro-phenylamine2-Bromo-5-fluoroanilVandetanib Impurity 313-Cyanophenyl&isocyanate2-Bromo-5-fluoroaniline98%2-Bromo-5-fluoroaniline >2-Bromo-5-fluoroaniline 98%2-Bromo-5-fluoroaniline,99%
SCHEMBL109237CL8389AKOS005064046CS-W001130PS-8400B2163EN300-1060612-bromo-5-fluorophenylamine

データベース識別子

CAS
1003-99-2
PubChem CID
2773317
DTXSID
DTXSID50378367
EC Number
600-091-2
Nikkaji
J2.445.007D

物性

構造計算による物性

XLogP
2
極性表面積
26 Ų
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
0
重原子数
9

物理化学的性質

融点
43 · 43-47 °C (lit.)
沸点
154 °C · 154 °C / 23mmHg
比重(密度)
1.694 · 1.694±0.06 g/cm3(Predicted)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
外見
powder to crystal

化学的性質

化学的特性Yellow to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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 CategoriesAcute Tox. 4 (13%)

安全データ

wgk
3
ridadr
UN2811
hs_code
29214200
risk_code
36/37/38
hazard_code
Xi,T
hazard_note
Toxic

化学と産業

応用分野 · 2 件

説明2-bromo-5-fluoroaniline: a intermediate of antitumor drug.2-bromo-5-fluoroaniline is the intermediate of antitumor drug Phortress, phortress is the benzothiazoles CYP1A1 antitumor drugs targeting by Univ Nottingham UK invention, solution becomes lipophilic compound 5F2O3(10 in the sensitive cells but Phortress enters), the latter is as potential aromatic hydrocarbon receptor (AhR) agonist, induce CYP1A1 to express, CYP1A1 metabolism through expressing produces and has high electrophilic active substance again, finally causes DNA damage and apoptosis. The method that, at present, synthetic 2-bromo-5-fluoronitrobenzene prepares 2-bromo-5-fluoroaniline is divided into two large classes:The one: adopt a chemical reduction method, utilizing the chemical reducing agent reductase 2-bromo-5-fluoronitrobenzenes such as protochloride glass putty, iron powder, vat powder, hydrazine, and sodium borohydride (potassium), which is 2-bromo-5-fluoroaniline. The 2nd: adopt hydro-reduction. What we do more often both at home and abroad at present is chloride or the catalytic hydrogenation of fluorine-containing arylamine, and the brominated less report of arylamine hydrogenation mainly is easily by hydrogenolysis because of bromine.

使用2-Bromo-5-fluoroaniline may be used to synthesize:orthobromothiobenzanilide of 5-fluoronitrobenzothiazole2-bromo-5-fluorobenzo[14C]nitrile[3-14C]-5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole2-bromo-5-fluoro-phenyl)-(2-methoxy-6-pentadecyl-benzyl)amine

サプライヤー100 社

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関連反応

32 件

化合物ノート

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