2,3-Difluorophenol - CAS 6418-38-8

Catalog:	BB032394
Product Name:	2,3-Difluorophenol
CAS:	6418-38-8
Synonyms:	2,3-difluorophenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3-difluorophenol
Description:	2,3-Difluorophenol (CAS# 6418-38-8) is a useful research chemical.
Molecular Weight:	130.09
Molecular Formula:	C6H4F2O
Canonical SMILES:	C1=CC(=C(C(=C1)F)F)O
InChI:	InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChI Key:	RPEPGIOVXBBUMJ-UHFFFAOYSA-N
Boiling Point:	54 °C (25 mmHg)
Melting Point:	33-39 °C
Flash Point:	56°C
Purity:	95 %
Density:	1.351 g/cm³
Appearance:	White crystalline low melting mass
Storage:	Flammables area
MDL:	MFCD00010262
LogP:	1.67040
Refractive Index:	1.495

Publication Number	Title	Priority Date
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021081212-A1	Pyridopyrimidine derivatives useful as kras g12c and kras g12d inhibitors in the treatment of cancer	20191024
WO-2021057893-A1	Pyrazolopyridine compounds as selective btk kinase inhibitors	20190926
WO-2020257998-A1	A conjugate of a cytotoxic agent to a cell binding molecule with branched linkers	20190624
WO-2020258893-A1	A formulation of a conjugate of a tubulysin analog to a cell-binding molecule	20190624

PMID	Publication Date	Title	Journal
21588831	20101013	Aqua-{4,4',6,6'-tetra-fluoro-2,2'-[(piperazine-1,4-di-yl)dimethyl-ene]diphenolato}copper(II)	Acta crystallographica. Section E, Structure reports online
18585342	20080730	Analytical application of poly{methyl[3-(2-hydroxy-3,4-difluoro)phenyl]propyl siloxane} as a QCM coating for DMMP detection	Talanta
17324616	20071101	FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of 2,3-difluoro phenol	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Oxygen Compounds

[77987-49-6]
Z-Glycinol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

GHS Hazard Statement:	H226 (82.61%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.02302107
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.02302107
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8