1-Bromo-3-(1,1-difluoroethyl)benzene - CAS 445303-70-8

Name: 1-Bromo-3-(1,1-difluoroethyl)benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025638
Product Name:	1-Bromo-3-(1,1-difluoroethyl)benzene
CAS:	445303-70-8
Synonyms:	1-bromo-3-(1,1-difluoroethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-(1,1-difluoroethyl)benzene
Description:	1-Bromo-3-(1,1-difluoroethyl)benzene (CAS# 445303-70-8) is a useful research chemical.
Molecular Weight:	221.04
Molecular Formula:	C8H7BrF2
Canonical SMILES:	CC(C1=CC(=CC=C1)Br)(F)F
InChI:	InChI=1S/C8H7BrF2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key:	NCJAJYPBNUFMQK-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD11007736
LogP:	3.56080

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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
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113354585-A	Synthesis of novel EP4 antagonists and their use in cancer and inflammation	20200304
WO-2021175283-A1	Synthesis of novel ep4 antagonist and use in cancers and inflammations	20200304
WO-2021043322-A1	Azepino pyrimidine derivatives and medical use thereof	20190906
US-2020392130-A1	SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS	20190614
US-2020392154-A1	Pyridine carbamates and their use as glun2b receptor modulators	20190614

Complexity:	136
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:	3.9