5-Bromo-3-fluorosalicylaldehyde - CAS 251300-28-4

Name: 5-Bromo-3-fluorosalicylaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018756
Product Name:	5-Bromo-3-fluorosalicylaldehyde
CAS:	251300-28-4
Synonyms:	5-bromo-3-fluoro-2-hydroxybenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-3-fluoro-2-hydroxybenzaldehyde
Description:	5-Bromo-3-fluorosalicylaldehyde (CAS# 251300-28-4) is a useful research chemical.
Molecular Weight:	219.01
Molecular Formula:	C7H4BrFO2
Canonical SMILES:	C1=C(C=C(C(=C1F)O)C=O)Br
InChI:	InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChI Key:	YYCQXIWKIRQWHN-UHFFFAOYSA-N
Melting Point:	112-116 °C (lit.)
Purity:	95 %
MDL:	MFCD03788530
LogP:	2.10630

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[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
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

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
WO-2021170774-A1	New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them	20200228
WO-2020254559-A1	Compounds for the treatment of neuromuscular disorders	20190619
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326
WO-2020198368-A1	Compounds and compositions as modulators of tlr signaling	20190326
US-2020108083-A1	Boron Containing PDE4 Inhibitors	20181005

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.93787
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.93787
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4