2-Bromo-5-fluorobenzaldehyde - CAS 94569-84-3

Name: 2-Bromo-5-fluorobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041419
Product Name:	2-Bromo-5-fluorobenzaldehyde
CAS:	94569-84-3
Synonyms:	2-bromo-5-fluorobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-fluorobenzaldehyde
Description:	2-Bromo-5-fluorobenzaldehyde has been used as a reactant for the preparation of pyridopyrimidinediones.
Molecular Weight:	203.01
Molecular Formula:	C7H4BrFO
Canonical SMILES:	C1=CC(=C(C=C1F)C=O)Br
InChI:	InChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChI Key:	CJUCIKJLMFVWIS-UHFFFAOYSA-N
Boiling Point:	225.8 °C at 760 mmHg
Melting Point:	51-56 °C
Purity:	95 %
Density:	1.67 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00142872
LogP:	2.40070

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[452-76-6]C7H6F2
2,4-Difluorotoluene
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1011398-65-4]C15H10F2N2O4
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

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GHS Hazard Statement:	H301 (11.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113372369-A	Preparation method of 2-formyl-4-fluorobenzeneboronic acid pinacol ester	20210525
CN-113214302-A	3-substituted five-membered cyclic borate derivative for inhibiting metal beta-lactamase and/or serine beta-lactamase	20210423
KR-20200041852-A	Mollugin derivatives, and pharmaceutical composition for preventing or treating inflammatory bowel disease comprising the same	20200413
KR-102223885-B1	Mollugin derivatives, and pharmaceutical composition for preventing or treating inflammatory bowel disease comprising the same	20200413
CN-111187257-A	RET receptor tyrosine kinase inhibitors	20200217

PMID	Publication Date	Title	Journal
21523085	20110115	5-Fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol	Acta crystallographica. Section E, Structure reports online
19864179	20091201	Vibrational spectra, ab initio/DFT electronic structure calculations, and normal coordinate analysis of 2-bromo-5-fluorobenzaldehyde	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21203233	20080719	Ethyl 4-(2-bromo-5-fluoro-phen-yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.94296
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.94296
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2