2-(4-Fluorophenyl)-3-butyn-2-ol - CAS 159028-51-0

Name: 2-(4-Fluorophenyl)-3-butyn-2-ol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011487
Product Name:	2-(4-Fluorophenyl)-3-butyn-2-ol
CAS:	159028-51-0
Synonyms:	2-(4-fluorophenyl)but-3-yn-2-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-fluorophenyl)but-3-yn-2-ol
Description:	2-(4-Fluorophenyl)-3-butyn-2-ol (CAS# 159028-51-0 ) is a useful research chemical.
Molecular Weight:	164.18
Molecular Formula:	C10H9FO
Canonical SMILES:	CC(C#C)(C1=CC=C(C=C1)F)O
InChI:	InChI=1S/C10H9FO/c1-3-10(2,12)8-4-6-9(11)7-5-8/h1,4-7,12H,2H3
InChI Key:	JEHIMMYBAYPVHN-UHFFFAOYSA-N
Boiling Point:	225.9 °C at 760 mmHg
Density:	1.111 g/mL at 25 °C
Appearance:	Colorless to brown liquid
LogP:	1.66640

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Related Functional Groups

Alkynes

[1066-54-2]C5H10Si
Ethynyltrimethylsilane
[627-41-8]C4H6O
Methyl propargyl ether
[1189377-77-2]C24H16N2
1,2-bis(4-(pyridin-4-yl)phenyl)ethyne
[1087-09-8]C16H10O2
1,4-Diphenyl-2-butyne-1,4-dione
[127-66-2]C10H10O
2-Phenyl-3-butyn-2-ol
[609769-63-3]0
4-methyl-N-(2-phenylethynyl)-N-(phenylmethyl)-benzenesulfonamide

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1011355-77-3]C13H9N3O2
5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
RU-2629024-C1	Atom-economic waste-free method of producing 2-(4-fluorphenyl)-but-3-in-2-ola	20160504
AU-2014249050-A1	Histone dementhylase inhibitors	20130312
AU-2014249050-B2	Histone dementhylase inhibitors	20130312
EP-2968282-A1	Histone dementhylase inhibitors	20130312
EP-2968282-B1	Histone dementhylase inhibitors	20130312

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.063743068
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.063743068
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6