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

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

Technical Data

Safety and Hazards

Patents

Literatures

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

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

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Fluorinated Building Blocks

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

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

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