4-Bromo-2-fluorotoluene - CAS 51436-99-8

Name: 4-Bromo-2-fluorotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027438
Product Name:	4-Bromo-2-fluorotoluene
CAS:	51436-99-8
Synonyms:	4-bromo-2-fluoro-1-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-fluoro-1-methylbenzene
Description:	4-Bromo-2-fluorotoluene (CAS# 51436-99-8) is a useful research chemical.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	CC1=C(C=C(C=C1)Br)F
InChI:	InChI=1S/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChI Key:	YZFVUQSAJMLFOZ-UHFFFAOYSA-N
Boiling Point:	68 °C (8 mmHg)
Purity:	97 %
Density:	1.492 g/cm³
Appearance:	Colorless to light yellow liqui
Storage:	Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00013551
LogP:	2.89660

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[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

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021083209-A1	Ssao inhibitors and use thereof	20191029
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2021009068-A1	N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme	20190712
WO-2020248279-A1	Continuous synthesis method for substituted benzoate organic matter	20190614
WO-2020198266-A1	Small molecule inhibitors of galectin-3	20190326

PMID	Publication Date	Title	Journal
20936791	20101111	A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity	Journal of medicinal chemistry
17009299	20061001	Synthesis and aldose reductase inhibitory activities of novel O-substituted hydroxyphenylacetic acid derivatives	Archiv der Pharmazie
17009300	20061001	Discovery of novel aldose reductase inhibitors characterized by an alkoxy-substituted phenylacetic acid core	Archiv der Pharmazie
11444967	20010727	Stereospecific interaction of a novel spirosuccinimide type aldose reductase inhibitor, AS-3201, with aldose reductase	Biochemistry

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.96369
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.96369
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1