4-Bromo-2,6-difluoroaniline (HCID 610191)

名称と識別子

優先名称: 4-Bromo-2,6-difluoroaniline
IUPAC: 4-bromo-2,6-difluoroaniline
現地名: 4-ブロモ-2,6-ジフルオロアニリン
英語名: 4-Bromo-2,6-difluoroaniline
分子式: C6H4BrF2N
分子量: 208

名称と別名

4-Bromo-2,6-difluoroaniline67567-26-4DTXSID60346178RefChem:519146DTXCID00297251642-485-72,6-Difluoro-4-bromoaniline4-Bromo-2,6-difluorobenzenamineMFCD00013389BENZENAMINE, 4-BROMO-2,6-DIFLUORO-(4-bromo-2,6-difluorophenyl)amine4-bromo-2,6-difluoro-aniline

名称をさらに表示

4-ブロモ-2,6-ジフルオロアニリン4-ブロモ-2,6-ジフルオロアニリン臭化物2,6-ジフルオロ-4-ブロモアニリンBUTTPARK 22\07-66Abesili impurity 104-Bromo-2,6-difluoro4-Bromo-2, 6-difluoroan2,6-difluro-4-broMoanilineBFQSQUAVMNHOEF-UHFFFAOYSA-N4-Bromo-2,6-diflaoroaniline

SCHEMBL580964-bromo-2,6-difluorophenylamine4-Bromo-2,6-difluoroaniline, 98%AC-3648AS-8191EN300-83060Z1238548705Vandetanib Impurity 8

データベース識別子

CAS: 67567-26-4
PubChem CID: 610191
DTXSID: DTXSID60346178
ChEMBL: CHEMBL4957737
UNII: RL8Q79UBB6
EC Number: 642-485-7
Nikkaji: J2.651.241G

物性

構造計算による物性

XLogP: 2.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 63 · 63-65 °C (lit.)
沸点: 188.2 · 188.2±35.0 °C(Predicted)
比重(密度): 1.788 · 1.788±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 1.11 · 1.11±0.10(Predicted)
外見: 結晶性粉末
色: 茶色
InChI: InChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey: BFQSQUAVMNHOEF-UHFFFAOYSA-N
SMILES: C1(N)=C(F)C=C(Br)C=C1F
CAS データベース: 67567 · 67567-26-4(CAS DataBase Reference)

化学的性質

化学的特性Off-white crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (95.9%): 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 49 reports by companies from 8 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 (95.9%)

安全データ

wgk: 3
hs_code: 29214200
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39-22
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明4-Bromo-2,6-difluoroaniline is a polyfunctional aniline derivative bearing a bromine atom at the para-position and two fluorine atoms at the ortho-positions. Its functional groups render this compound relatively reactive, enabling participation in substitution, displacement, and condensation coupling reaction systems. It finds extensive application within the field of organic synthesis. Furthermore, conjugated quasi-planar triphenylamines synthesised from 4-bromo-2,6-difluoroaniline serve as hole-transporting materials in perovskite solar cells and organic light-emitting diodes (OLEDs).

使用4-Bromo-2,6-difluoroaniline is used in the preparation of potent, VEGF receptor tyrosine kinase inhibitors.