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1-Bromo-4-(2,2,2-trifluoroethoxy)benzene

1-Bromo-4-(2,2,2-trifluoroethoxy)benzene - CAS 106854-77-7

Catalog:	BB001934
Product Name:	1-Bromo-4-(2,2,2-trifluoroethoxy)benzene
CAS:	106854-77-7
Synonyms:	1-bromo-4-(2,2,2-trifluoroethoxy)benzene; 1-bromo-4-(2,2,2-trifluoroethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-(2,2,2-trifluoroethoxy)benzene
Description:	1-Bromo-4-(2,2,2-trifluoroethoxy)benzene (CAS# 106854-77-7) is a useful research chemical.
Molecular Weight:	255.03
Molecular Formula:	C8H6BrF3O
Canonical SMILES:	C1=CC(=CC=C1OCC(F)(F)F)Br
InChI:	InChI=1S/C8H6BrF3O/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4H,5H2
InChI Key:	SMDIDUHBHCDCRQ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.39020

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, 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

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.95541
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.95541
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7