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

이름 및 식별자

우선 이름: 4-Bromo-2,6-difluoroaniline
IUPAC: 4-bromo-2,6-difluoroaniline
영어명: 4-Bromo-2,6-difluoroaniline
분자식: C6H4BrF2N
분자량: 208

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 63 · 63-65 °C (lit.)
끓는 점: 188.2 · 188.2±35.0 °C(Predicted)
밀도: 1.788 · 1.788±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 1.11 · 1.11±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 갈색
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

화학적 성질

Off-white crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

안전 데이터

wgk: 3
HS 번호: 29214200
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39-22
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요4-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).

용도4-Bromo-2,6-difluoroaniline is used in the preparation of potent, VEGF receptor tyrosine kinase inhibitors.