1-Bromo-3-fluoro-5-nitrobenzene - CAS 7087-65-2

Catalog:	BB034258
Product Name:	1-Bromo-3-fluoro-5-nitrobenzene
CAS:	7087-65-2
Synonyms:	1-bromo-3-fluoro-5-nitrobenzene; 1-bromo-3-fluoro-5-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-fluoro-5-nitrobenzene
Description:	1-Bromo-3-fluoro-5-nitrobenzene (CAS# 7087-65-2) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=C(C=C(C=C1F)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H3BrFNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:	SWXVEPMSQBEVRH-UHFFFAOYSA-N
Boiling Point:	245.466 °C at 760 mmHg
Density:	1.695 g/cm³
MDL:	MFCD09955454
LogP:	2.75160

Publication Number	Title	Priority Date
TW-202010738-A	Fungicidal nitroanilino substituted pyrazoles	20180906
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US-2021101881-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (100%): 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