2-Chloro-4,5-difluoronitrobenzene - CAS 771-76-6

Catalog:	BB035849
Product Name:	2-Chloro-4,5-difluoronitrobenzene
CAS:	771-76-6
Synonyms:	1-chloro-4,5-difluoro-2-nitrobenzene; 1-chloro-4,5-difluoro-2-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-4,5-difluoro-2-nitrobenzene
Description:	2-Chloro-4,5-difluoronitrobenzene (CAS# 771-76-6) is a useful research chemical.
Molecular Weight:	193.54
Molecular Formula:	C6H2ClF2NO2
Canonical SMILES:	C1=C(C(=CC(=C1F)F)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H2ClF2NO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H
InChI Key:	BONLKUDAFUJZNP-UHFFFAOYSA-N
MDL:	MFCD04973764
LogP:	3.04960

Publication Number	Title	Priority Date
CN-112759559-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20191106
WO-2020126952-A1	Imidazopyrazine derivatives as antibacterial agents	20181217
WO-2020126953-A1	Novel imidazopyrazine derivatives as antibacterials	20181217
WO-2020126954-A1	Novel imidazopyrazine derivatives	20181217
WO-2020126956-A1	Imidazopyrazine derivatives as antibacterial agents	20181217

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.9742123
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.9742123
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4