4-Chloro-2,6-difluorobenzaldehyde - CAS 252004-45-8

Name: 4-Chloro-2,6-difluorobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018799
Product Name:	4-Chloro-2,6-difluorobenzaldehyde
CAS:	252004-45-8
Synonyms:	4-chloro-2,6-difluorobenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2,6-difluorobenzaldehyde
Description:	4-Chloro-2,6-difluorobenzaldehyde (CAS# 252004-45-8) is a useful research chemical.
Molecular Weight:	176.55
Molecular Formula:	C7H3ClF2O
Canonical SMILES:	C1=C(C=C(C(=C1F)C=O)F)Cl
InChI:	InChI=1S/C7H3ClF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChI Key:	GTTVSBCPMJQRSP-UHFFFAOYSA-N
Boiling Point:	198.8 °C at 760 mmHg
Purity:	95 %
Density:	1.453 g/cm³
Appearance:	Solid
MDL:	MFCD03094460
LogP:	2.43070

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021169990-A1	Kras inhibitors for treating cancers	20200224
US-2020164024-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
WO-2020110008-A1	Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder	20181127
WO-2020110009-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
TW-202038990-A	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.9840487
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.9840487
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2