Methyl pentafluorobenzoate - CAS 36629-42-2

Name: Methyl pentafluorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023020
Product Name:	Methyl pentafluorobenzoate
CAS:	36629-42-2
Synonyms:	methyl 2,3,4,5,6-pentafluorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2,3,4,5,6-pentafluorobenzoate
Description:	Methyl Pentafluorobenzoate can be used for electrolyte solutions for secondary lithium batteries and the batteries.
Molecular Weight:	226.10
Molecular Formula:	C8H3F5O2
Canonical SMILES:	COC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
InChI:	InChI=1S/C8H3F5O2/c1-15-8(14)2-3(9)5(11)7(13)6(12)4(2)10/h1H3
InChI Key:	UXJRQNXHCZKHRJ-UHFFFAOYSA-N
Boiling Point:	222.7 °C at 760 mmHg
Purity:	95 %
Density:	1.532 g/cm³
Appearance:	Clear colorless to light yellow liquid
MDL:	MFCD00012172
LogP:	2.16870

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]C7H6F2
2,4-Difluorotoluene

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

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

Publication Number	Title	Priority Date
CN-113084353-A	Laser-induced thermal patterning method of nano-crystal based on ligand chemistry and patterned nano-crystal film	20210220
CN-111781803-A	Photoresist-free photo-patterning method of quantum dot film	20200624
US-2021171522-A1	Derivatives of an fgfr inhibitor	20191204
WO-2021113462-A1	Derivatives of an fgfr inhibitor	20191204
EP-3752552-A1	Container for storing a bodily fluid	20190201

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.00532014
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.00532014
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3