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

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

Technical Data

Safety and Hazards

Patents

Literatures

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

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

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Other Pyrimidines

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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

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