5-Bromo-2-fluorobenzotrifluoride - CAS 393-37-3

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

Catalog:	BB023938
Product Name:	5-Bromo-2-fluorobenzotrifluoride
CAS:	393-37-3
Synonyms:	4-bromo-1-fluoro-2-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-fluoro-2-(trifluoromethyl)benzene
Description:	5-Bromo-2-fluorobenzotrifluoride (CAS# 393-37-3) is a useful research chemical.
Molecular Weight:	243.00
Molecular Formula:	C7H3BrF4
Canonical SMILES:	C1=CC(=C(C=C1Br)C(F)(F)F)F
InChI:	InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChI Key:	AJLIJYGWAXPEOK-UHFFFAOYSA-N
Boiling Point:	79-80 °C (50 mmHg)
Purity:	95 %
Density:	1.72 g/cm³
MDL:	MFCD00042493
LogP:	3.60700

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[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
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]C8H17Cl
1-Chlorooctane

Other Pyrimidines

[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

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

Publication Number	Title	Priority Date
WO-2021076890-A1	INHIBITING HUMAN INTEGRIN Î±4Î²7	20191016
WO-2021076902-A1	INHIBITING HUMAN INTEGRIN Î± 4 Î² 7	20191016
US-11104661-B1	Inhibiting human integrin (Î±-4) (Î²-7)	20191016
WO-2021043322-A1	Azepino pyrimidine derivatives and medical use thereof	20190906
WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.93543
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.93543
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6