5-Amino-2-fluorobenzonitrile - CAS 53312-81-5

Catalog:	BB028130
Product Name:	5-Amino-2-fluorobenzonitrile
CAS:	53312-81-5
Synonyms:	Benzonitrile, 5-amino-2-fluoro-; 2-Fluoro-5-aminobenzonitrile; 3-Cyano-4-fluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

Related CAS:	801316-08-5 (monohydrochloride)
IUPAC Name:	5-amino-2-fluorobenzonitrile
Molecular Weight:	136.13
Molecular Formula:	C7H5FN2
Canonical SMILES:	C1=CC(=C(C=C1N)C#N)F
InChI:	InChI=1S/C7H5FN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
InChI Key:	HHTRAISBAAXRKZ-UHFFFAOYSA-N
Boiling Point:	294.5±20.0°C at 760 mmHg
Melting Point:	92-96°C
Purity:	≥95%
Density:	1.25±0.1 g/cm3
Appearance:	White to violet to brown powder, crystals or fibers
Storage:	Store at 2-8°C
MDL:	MFCD00277872
LogP:	1.86078

Publication Number	Title	Priority Date
CN-112679489-A	N-sulfonyl heterocyclic derivatives and pharmaceutical use thereof	20201231
EP-3892332-A1	New anti-malarial agents	20200409
WO-2021204952-A1	New anti-malarial agents	20200409
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]
1,2,3-Trifluorobenzene
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H302 (13.04%): 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, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.04367633
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	136.04367633
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2