2-Bromo-4-fluoronitrobenzene - CAS 700-36-7

Catalog:	BB034051
Product Name:	2-Bromo-4-fluoronitrobenzene
CAS:	700-36-7
Synonyms:	2-bromo-4-fluoro-1-nitrobenzene; 2-bromo-4-fluoro-1-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-fluoro-1-nitrobenzene
Description:	2-Bromo-4-fluoronitrobenzene (CAS# 700-36-7) is a useful research chemical.
Molecular Weight:	220.00
Molecular Formula:	C6H3BrFNO2
Canonical SMILES:	C1=CC(=C(C=C1F)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H3BrFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
InChI Key:	VGYVBEJDXIPSDL-UHFFFAOYSA-N
Boiling Point:	224 °C at 760 mmHg
Density:	1.808 g/cm³
Solubility:	Soluble in methanol
Appearance:	Light yellow to yellow to light yellow-green crystals or powder
MDL:	MFCD00792441
LogP:	3.01960

Publication Number	Title	Priority Date
CN-112094248-A	Substituted benzothiazole compound and application thereof	20200917
WO-2021195346-A1	Lipoxygenase inhibitors	20200325
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
WO-2021144439-A1	Quinoxaline derivatives	20200117

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Nitrogen Compounds

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[102388-00-1]
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[55877-31-1]
1-Benzofuran-3-carbonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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GHS Hazard Statement:	H302 (80%): 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:	2.4