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4-Bromo-3-fluoronitrobenzene

4-Bromo-3-fluoronitrobenzene - CAS 185331-69-5

Catalog:	BB014222
Product Name:	4-Bromo-3-fluoronitrobenzene
CAS:	185331-69-5
Synonyms:	1-bromo-2-fluoro-4-nitrobenzene; 1-bromo-2-fluoro-4-nitrobenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-bromo-2-fluoro-4-nitrobenzene
Description:	4-Bromo-3-fluoronitrobenzene (CAS# 185331-69-5) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])F)Br
InChI:	InChI=1S/C6H3BrFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChI Key:	AZYQMHQOHNGPRR-UHFFFAOYSA-N
Boiling Point:	252.9 °C at 760 mmHg
Density:	1.808 g/cm³
MDL:	MFCD05865088
LogP:	3.01960

Publication Number	Title	Priority Date
CN-113354630-A	5, 6-dihydrobenzo [ h ] quinazoline compound and application thereof	20210630
KR-20210114880-A	Diamine compound, polyimide-based polymer, polymer film, substrate for display device and optical device using the same	20200311
WO-2021138392-A1	Aminopyrimidine compounds	20191230
CN-110846050-A	Bent azo liquid crystal compound and preparation method and application thereof	20191128
CN-110846050-B	Bent azo liquid crystal compound and preparation method and application thereof	20191128

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.93312
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.93312
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5