2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol - CAS 2787-79-3

Catalog:	BB019695
Product Name:	2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol
CAS:	2787-79-3
Synonyms:	2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenol
Description:	2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol (CAS# 2787-79-3) is a useful research chemical.
Molecular Weight:	234.07
Molecular Formula:	C7HF7O
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)O)F)F)C(F)(F)F
InChI:	InChI=1S/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
InChI Key:	HZQGKHUTYHEFBT-UHFFFAOYSA-N
Boiling Point:	163-164 °C (lit.)
Density:	1.713 g/mL at 25 °C (lit.)
Appearance:	Liquid or low mp solid
MDL:	MFCD00155984
LogP:	2.96740

Publication Number	Title	Priority Date
WO-2021193950-A1	Carbodiimide composition, hardener composition, coating composition, and cured resin object	20200327
WO-2021117710-A1	Organic electroluminescent element, compound and electronic device	20191210
CN-110563764-A	electrolyte flame-retardant additive and preparation method and application thereof	20190910
CN-110590848-A	Flame-retardant additive and preparation method and application thereof	20190910
WO-2021015177-A1	Organic electroluminescent element and electronic device	20190724

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[451-46-7]
Ethyl 4-fluorobenzoate

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.99156179
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.99156179
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9