3-Bromo-2-fluorobenzotrifluoride - CAS 144584-67-8

Name: 3-Bromo-2-fluorobenzotrifluoride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009798
Product Name:	3-Bromo-2-fluorobenzotrifluoride
CAS:	144584-67-8
Synonyms:	1-bromo-2-fluoro-3-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-fluoro-3-(trifluoromethyl)benzene
Description:	3-Bromo-2-fluorobenzotrifluoride (CAS# 144584-67-8) is a useful research chemical.
Molecular Weight:	243.00
Molecular Formula:	C7H3BrF4
Canonical SMILES:	C1=CC(=C(C(=C1)Br)F)C(F)(F)F
InChI:	InChI=1S/C7H3BrF4/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H
InChI Key:	VPXCYIIXCVJZKZ-UHFFFAOYSA-N
Boiling Point:	164.2 °C at 760 mmHg
Density:	1.72 g/cm³
Appearance:	Colorless to pale yellow clear liquid
MDL:	MFCD00070812
LogP:	3.60700

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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
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine 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

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

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
EP-3581570-A1	Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds	20180615
EP-3581570-B1	Carbazole-pyridine-trifluoromethylphenyl derivatives and related compounds for use as tadf luminescent emitters in oleds	20180615
TW-202016097-A	Bruton's tyrosine kinase inhibitor	20180514
WO-2019192602-A1	Aromatic compound and preparation method therefor and use thereof	20180404
AU-2019248310-A1	Aromatic compound and preparation method therefor and use thereof	20180404

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