4-Fluorophenol - CAS 371-41-5

Name: 4-Fluorophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023203
Product Name:	4-Fluorophenol
CAS:	371-41-5
Synonyms:	4-fluorophenol

Technical Data

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Computed Properties

IUPAC Name:	4-fluorophenol
Description:	4-Fluorophenol (CAS# 371-41-5) is a fluorinated phenolic compound with various applications as an starting reagent for the synthesis of pharmaceutical goods.
Molecular Weight:	112.10
Molecular Formula:	C6H5FO
Canonical SMILES:	C1=CC(=CC=C1O)F
InChI:	InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChI Key:	RHMPLDJJXGPMEX-UHFFFAOYSA-N
Boiling Point:	185 °C
Melting Point:	44-49 °C
Purity:	99 %
Density:	1.217 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00002316
LogP:	1.53130
Vapor Pressure:	1.19 [mmHg]

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1328640-88-5]C7H9F2N3O3
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[132182-92-4]C7H3F13O
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

Oxygen Compounds

[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

GHS Hazard Statement:	H302 (98.17%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (94.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (56.88%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H315 (43.12%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (50.46%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (44.04%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (88.99%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H412 (52.29%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-11040939-B1	N-transfer reagent and method for preparing the same and its application	20200623
WO-2021112251-A1	Azetidine sulfonamide compound	20191206
WO-2021106230-A1	Novel phenol compound or salt thereof	20191129
WO-2021102052-A1	Directed conjugation technologies	20191118
WO-2021095302-A1	Semiconductor device production method, dicing die-bonding integrated film, and production method therefor	20191115

PMID	Publication Date	Title	Journal
22639088	20120901	Defluorination of 4-fluorophenol by cytochrome P450(BM₃)-F87G: activation by long chain fatty aldehydes	Biotechnology letters
22101783	20120701	Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol	Applied microbiology and biotechnology
21728015	20120201	Biodegradation kinetics of 4-fluorocinnamic acid by a consortium of Arthrobacter and Ralstonia strains	Biodegradation
22003511	20110912	Observation and mechanistic study of facile C-O bond formation between a well-defined aryl-copper(III) complex and oxygen nucleophiles	Chemistry (Weinheim an der Bergstrasse, Germany)
21900864	20110906	Synthesis of no-carrier-added 4-[18F]fluorophenol from 4-benzyloxyphenyl-(2-thienyl)iodonium bromide	Molecules (Basel, Switzerland)

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.032442941
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.032442941
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8