3,5-Difluoroaniline - CAS 372-39-4

Catalog:	BB023239
Product Name:	3,5-Difluoroaniline
CAS:	372-39-4
Synonyms:	Benzenamine, 3,5-difluoro-; 3,5-Difluorobenzenamine; Aniline, 3,5-difluoro-; 3,5-Difluoronitroaniline; 3,5-Difluorophenylamine; 3,5-Fluoroaniline; NSC 81289

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-difluoroaniline
Molecular Weight:	129.11
Molecular Formula:	C6H5F2N
Canonical SMILES:	C1=C(C=C(C=C1F)F)N
InChI:	InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChI Key:	KQOIBXZRCYFZSO-UHFFFAOYSA-N
Boiling Point:	185.4±20.0°C at 760 mmHg
Melting Point:	39-40°C
Purity:	95%
Density:	1.289±0.06 g/cm3
Solubility:	Insoluble in Water
Appearance:	White to Yellow Low-melting Solid
Storage:	Store at RT
MDL:	MFCD00007763
LogP:	2.12820

Publication Number	Title	Priority Date
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216
EP-3825320-A1	Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound	20191125
WO-2021097240-A1	Compounds and uses thereof	20191113
WO-2021074196-A1	Thienopyrimidones as trpa1 inhibitors	20191015
WO-2021062319-A1	Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926

PMID	Publication Date	Title	Journal
17471376	20070514	Pyridazine-bridged copper(I) complexes of bis-bidentate ligands: tetranuclear [2 x 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents	Dalton transactions (Cambridge, England : 2003)
12206438	20020901	Metabonomic assessment of toxicity of 4-fluoroaniline, 3,5-difluoroaniline and 2-fluoro-4-methylaniline to the earthworm Eisenia veneta (Rosa): identification of new endogenous biomarkers	Environmental toxicology and chemistry

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Related Functional Groups

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[927800-47-3]
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[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[672-45-7]
6-(Trifluoromethyl)uracil
[677-25-8]
Ethenesulfonyl fluoride

GHS Hazard Statement:	H302 (97.87%): 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, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.03900549
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.03900549
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4