2-Chloro-3,6-difluorobenzaldehyde - CAS 261762-39-4

Catalog:	BB019167
Product Name:	2-Chloro-3,6-difluorobenzaldehyde
CAS:	261762-39-4
Synonyms:	2-chloro-3,6-difluorobenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-3,6-difluorobenzaldehyde
Description:	2-Chloro-3,6-difluorobenzaldehyde (CAS# 261762-39-4) is a useful research chemical.
Molecular Weight:	176.55
Molecular Formula:	C7H3ClF2O
Canonical SMILES:	C1=CC(=C(C(=C1F)C=O)Cl)F
InChI:	InChI=1S/C7H3ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H
InChI Key:	KPYBGKSDBNMHTO-UHFFFAOYSA-N
Boiling Point:	206.4 °C at 760 mmHg
Melting Point:	46-50 °C
Purity:	95 %
Density:	1.453 g/cm³
Appearance:	White to yellow solid, powder or crystals
MDL:	MFCD01631443
LogP:	2.43070

Publication Number	Title	Priority Date
WO-2019219820-A1	Substituted condensed thiophenes as modulators of sting	20180516
AU-2019270394-A1	Substituted condensed thiophenes as modulators of sting	20180516
CN-112424181-A	Substituted condensed thiophenes as STING modulators	20180516
EP-3793988-A1	Substituted condensed thiophenes as modulators of sting	20180516
US-2021214333-A1	Substituted condensed thiophenes as modulators of sting	20180516

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

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:	153
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