2-Bromo-5-fluoroaniline

HCID 2773317

기본 정보

CAS
1003-99-2
표준 SMILES
Nc1cc(F)ccc1Br
InChIKey
FWTXFEKVHSFTDQ-UHFFFAOYSA-N
분자식
C6H5BrFN
평균 분자량
190.01 g/mol
단동위원소 질량
188.95893948

이름 및 식별자

우선 이름
2-Bromo-5-fluoroaniline
IUPAC
2-bromo-5-fluoroaniline
영어명
2-Bromo-5-fluoroaniline
분자식
C6H5BrFN
분자량
190.01

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2
극성 표면적
26 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

물리화학적 성질

녹는점
43 · 43-47 °C (lit.)
끓는 점
154 °C · 154 °C / 23mmHg
밀도
1.694 · 1.694±0.06 g/cm3(Predicted)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
powder to crystal

화학적 성질

Yellow to brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (13%)

안전 데이터

wgk
3
ridadr
UN2811
HS 번호
29214200
risk_code
36/37/38
hazard_code
Xi,T
safety_code
26-36

화학 및 산업

응용 분야 · 2건

개요2-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.

용도2-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

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

관련 반응

32건

화합물 노트

불러오는 중…