BenzenaMine,2-broMo-5-플루오로-4-니트로-

BenzenaMine,2-broMo-5-플루오로-4-니트로- · 2-Bromo-5-fluoro-4-nitro-phenylamine · 2-BroMo-5-fluoro-4-nitroaniline · 2-broMo-5-fluoro-4-nitrobenzenaMine · BenzenaMine, 2-broMo-5-fluoro-4-nitro- · BenzenaMine, 2-broMo-5-fluoro-4-nitro-2

https://huagongshe.com/ko/chemical/57488513

BenzenaMine,2-broMo-5-플루오로-4-니트로- 분자 구조식

식별자 및 물리적 특성

CAS No.	952664-69-6
분자식	C6H4BrFN2O2
평균 분자량	235.01 g/mol
단동위원소 질량	233.94401769 g/mol
SMILES	Nc1cc(F)c([N+](=O)[O-])cc1Br
InChIKey	PKDUOURYTVRBLI-UHFFFAOYSA-N
PubChem CID	57488513
EC No.	963-732-8
DTXSID	DTXSID60726890
현지명	BenzenaMine,2-broMo-5-플루오로-4-니트로-

화학 및 물리적 성질

XLogP	1.9
극성 표면적	71.8
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	187
끓는 점	364.5±37.0 °C(Predicted)
밀도	1.896±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
pKa(산도 계수)	-2.19±0.14(Predicted)
InChI	InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2
InChIKey	PKDUOURYTVRBLI-UHFFFAOYSA-N
SMILES	C1(N)=CC(F)=C([N+]([O-])=O)C=C1Br

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
관세 코드	2921410090

용도

2-Bromo-5-fluoro-4-nitroaniline is a polysubstituted aniline compound containing substituents such as bromine, nitro and fluorine atoms in the 2, 4 and 5 positions of the benzene ring, respectively. This product can be used as an intermediate for Tezacaftor, a cystic fibrosis (CF) combination used to treat patients 6 years of age and older.