3-Bromo-4-fluorotoluene - CAS 452-62-0

Catalog:	BB025804
Product Name:	3-Bromo-4-fluorotoluene
CAS:	452-62-0
Synonyms:	2-bromo-1-fluoro-4-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-fluoro-4-methylbenzene
Description:	3-Bromo-4-fluorotoluene (CAS# 452-62-0) is a useful research chemical.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	CC1=CC(=C(C=C1)F)Br
InChI:	InChI=1S/C7H6BrF/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:	QLRKALMVPCQTMU-UHFFFAOYSA-N
Boiling Point:	169 °C
Purity:	98 %
Density:	1.507 g/cm³
Appearance:	Colorless to light yellow liqui
MDL:	MFCD00040827
LogP:	2.89660

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021028570-A1	2-hydroxycycloalkane-1-carbamoyl derivatives	20190815
US-2020399258-A1	Benzisoxazole Sulfonamide Derivatives	20190618
WO-2020254946-A1	Benzisoxazole sulfonamide derivatives	20190618
WO-2020108659-A1	Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof	20181130

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Related Functional Groups

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Halides

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[832741-29-4]
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Other Pyrimidines

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[937601-34-8]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1