3,4-Difluoronitrobenzene - CAS 369-34-6

Name: 3,4-Difluoronitrobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,2-difluoro-4-nitrobenzene
Description:	3,4-Difluoro-1-nitrobenzene was used in the synthesis of nitrogen-carbon-linked (azolylphenyl)oxazolidinones with antibacterial activities. It was also used in the preparation of (homo)piperazinylphenyl- and piperidinylphenyl-substituted oxazolidinones with antibacterial activities.
Molecular Weight:	159.09
Molecular Formula:	C6H3F2NO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])F)F
InChI:	InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChI Key:	RUBQQRMAWLSCCJ-UHFFFAOYSA-N
Boiling Point:	80-81 °C (14 mmHg)
Purity:	98 %
Density:	1.441 g/cm³
Appearance:	Clear yellow liquid
MDL:	MFCD00007198
LogP:	2.39620

GHS Hazard Statement:	H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (13.04%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (13.04%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H373 (10.87%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113372200-A	Preparation method of 2-bromo-6-fluoroanisole	20210712
CN-112409285-A	Crystal form of oxazolidinone compound, preparation method and application thereof	20201130
CN-112159368-A	Synthesis method of linezolid intermediate	20200707
EP-3901152-A1	Kv3 enhancers for the treatment of cognitive disorders	20200423
CN-111269126-A	Preparation method of fusion-cast carrier 1, 2-difluoro-4, 5-dinitrobenzene	20200312

PMID	Publication Date	Title	Journal
22199799	20111201	(1R,5S)-8-(2-Fluoro-4-nitro-phen-yl)-8-aza-bicyclo-[3.2.1]octan-3-one	Acta crystallographica. Section E, Structure reports online
20860353	20101014	A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers	The journal of physical chemistry. B
17139100	20061201	Synthesis of heterocyclic compounds via nucleophilic aroylation catalyzed by imidazolidenyl carbene	Chemical & pharmaceutical bulletin

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.01318466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.01318466
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1