1,2-Dichloro-4-fluoro-5-nitrobenzene - CAS 2339-78-8

Catalog:	BB018040
Product Name:	1,2-Dichloro-4-fluoro-5-nitrobenzene
CAS:	2339-78-8
Synonyms:	1,2-dichloro-4-fluoro-5-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2-dichloro-4-fluoro-5-nitrobenzene
Description:	1,2-Dichloro-4-fluoro-5-nitrobenzene (CAS# 2339-78-8) is a useful research chemical.
Molecular Weight:	209.99
Molecular Formula:	C6H2Cl2FNO2
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)F)[N+](=O)[O-]
InChI:	InChI=1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChI Key:	FXOCDIKCKFOUDE-UHFFFAOYSA-N
Boiling Point:	247 °C
Melting Point:	17 °C
Purity:	98 %
Density:	1.596 g/cm³
Appearance:	Yellow liquid and/or solid
Storage:	Room temperature.
MDL:	MFCD00075330
LogP:	3.56390

Publication Number	Title	Priority Date
WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017
WO-2018191146-A1	Heteroaryl rheb inhibitors and uses thereof	20170410
US-2021238165-A1	Heteroaryl rheb inhibitors and uses thereof	20170410
EP-3430007-A1	Signaling-biased mu opioid receptor agonists	20160315
US-2019055214-A1	Signaling-biased mu opioid receptor agonists	20160315

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1597-32-6]
2-Amino-6-fluoropyridine

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Other Pyrimidines

[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

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:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.9446619
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.9446619
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3