5-Bromo-2-fluorotoluene - CAS 51437-00-4

Catalog:	BB027439
Product Name:	5-Bromo-2-fluorotoluene
CAS:	51437-00-4
Synonyms:	4-bromo-1-fluoro-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-fluoro-2-methylbenzene
Description:	5-Bromo-2-fluorotoluene (CAS# 51437-00-4) is used in the preparation of 1, 2-diarylimidazoles and terphenyls as cyclooxygenase inhibitors and orally active antiinflammatory agents.
Molecular Weight:	189.02
Molecular Formula:	C7H6BrF
Canonical SMILES:	CC1=C(C=CC(=C1)Br)F
InChI:	InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChI Key:	VXKYOKPNAXNAFU-UHFFFAOYSA-N
Boiling Point:	94-95 °C (50 mmHg)
Density:	1.486 g/cm³
MDL:	MFCD00000343
LogP:	2.89660

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
CN-111518017-A	Nitrogen-containing compound, electronic component, and electronic device	20191230
WO-2021082958-A1	Nitrogen-containing compounds, electronics and electronic devices	20191031
WO-2021076890-A1	INHIBITING HUMAN INTEGRIN Î±4Î²7	20191016
WO-2021076902-A1	INHIBITING HUMAN INTEGRIN Î± 4 Î² 7	20191016

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Other Pyrimidines

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[13566-71-7]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	3.7