4-Fluorophenethylamine hydrochloride - CAS 459-19-8

Catalog:	BB026016
Product Name:	4-Fluorophenethylamine hydrochloride
CAS:	459-19-8
Synonyms:	2-(4-fluorophenyl)ethanamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-fluorophenyl)ethanamine;hydrochloride
Description:	4-Fluorophenethylamine hydrochloride (CAS# 459-19-8) is a useful research chemical.
Molecular Weight:	175.63
Molecular Formula:	C8H11ClFN
Canonical SMILES:	C1=CC(=CC=C1CCN)F.Cl
InChI:	InChI=1S/C8H10FN.ClH/c9-8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
InChI Key:	LDSVEOCTJMJEQM-UHFFFAOYSA-N
Boiling Point:	251.7 °C at 760 mmHg
Melting Point:	208 °C
Purity:	> 98.0 % (T) (HPLC)
Density:	1.069 g/cm³
Appearance:	White to almost white powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00008190
LogP:	2.82920

Publication Number	Title	Priority Date
US-2020131431-A1	Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors	20181026
WO-2020086309-A1	Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors	20181026
AU-2017290238-A1	Diprovocims: a new and potent class of tlr agonists	20160629
CA-3026178-A1	Diprovocims: a new and potent class of tlr agonists	20160629
EP-3445758-A1	Diprovocims: a new and potent class of tlr agonists	20160629

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Nitrogen Compounds

[89908-23-6]
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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Other Pyrimidines

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Ethyl 4-fluorobenzoate

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H312 (97.44%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (97.44%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P405 : Store locked up.
Signal Word:	Danger

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0564052
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.0564052
Rotatable Bond Count:	2
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0