1-Bromo-4-(1,1-difluoroethyl)benzene - CAS 1000994-95-5

Name: 1-Bromo-4-(1,1-difluoroethyl)benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000082
Product Name:	1-Bromo-4-(1,1-difluoroethyl)benzene
CAS:	1000994-95-5
Synonyms:	1-bromo-4-(1,1-difluoroethyl)benzene

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-bromo-4-(1,1-difluoroethyl)benzene
Description:	1-Bromo-4-(1,1-difluoroethyl)benzene (CAS# 1000994-95-5) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C8H7BrF2
Canonical SMILES:	CC(C1=CC=C(C=C1)Br)(F)F
InChI:	InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key:	QXIBKCFAFRHORF-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Powder or crystalline powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD11110333
LogP:	3.56080

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Halides

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[111-85-3]C8H17Cl
1-Chlorooctane
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
JP-2021070660-A	Method for Producing Optically Active 2-Pyrrolidone Compound	20191031
WO-2020107189-A1	Pyrrolidine compounds for the treatment of malaria	20181127
WO-2020023393-A1	Kinase antagonists and methods for making and using them	20180723

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.96992
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.96992
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8