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4-Bromo-3,5-dichlorobenzotrifluoride

4-Bromo-3,5-dichlorobenzotrifluoride - CAS 118754-53-3

Name: 4-Bromo-3,5-dichlorobenzotrifluoride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004254
Product Name:	4-Bromo-3,5-dichlorobenzotrifluoride
CAS:	118754-53-3
Synonyms:	2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1,3-dichloro-5-(trifluoromethyl)benzene
Description:	4-Bromo-3,5-dichlorobenzotrifluoride (CAS# 118754-53-3) is a useful research chemical.
Molecular Weight:	293.90
Molecular Formula:	C7H2BrCl2F3
Canonical SMILES:	C1=C(C=C(C(=C1Cl)Br)Cl)C(F)(F)F
InChI:	InChI=1S/C7H2BrCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChI Key:	IQHSSYROJYPFDV-UHFFFAOYSA-N
Boiling Point:	100 °C (40 torr)
Purity:	95 %
Density:	1.833 g/cm³
Appearance:	Clear yellow liquid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00221020
LogP:	4.77470

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Related Functional Groups

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene

GHS Hazard Statement:	H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23007544	20121001	(E)-N'-(4-Chlorobenzylidene)-, (E)-N'-(4-bromobenzylidene)- and (E)-N'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide	Acta crystallographica. Section C, Crystal structure communications
22341208	20120301	Effect of freezing conditions on distances and their distributions derived from Double Electron Electron Resonance (DEER): a study of doubly-spin-labeled T4 lysozyme	Journal of magnetic resonance (San Diego, Calif. : 1997)
22412426	20120301	Bis{4-bromo-2-[(naphthalen-1-yl-imino)-meth-yl]phenolato-κN,O}copper(II)	Acta crystallographica. Section E, Structure reports online
22412427	20120301	{4-Bromo-2-[(2-{(ethyl-sulfan-yl)[(2-oxidobenzyl-idene-κO)amino-κN]methylidene}hydrazinyl-idene-κN)meth-yl]phenolato-κO}(butan-2-ol-κO)dioxidouranium(VI)	Acta crystallographica. Section E, Structure reports online
22276912	20120203	A new synthesis of γ-butyrolactones via AuCl(3)- or Hg(II)-catalyzed intramolecular hydroalkoxylation of 4-bromo-3-yn-1-ols	Organic letters

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.86690
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.86690
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8