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

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[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
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

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