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5-(Benzyloxy)-2-bromotoluene

5-(Benzyloxy)-2-bromotoluene - CAS 17671-75-9

Catalog:	BB013244
Product Name:	5-(Benzyloxy)-2-bromotoluene
CAS:	17671-75-9
Synonyms:	1-bromo-2-methyl-4-phenylmethoxybenzene; 1-bromo-2-methyl-4-phenylmethoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2-methyl-4-phenylmethoxybenzene
Description:	5-(Benzyloxy)-2-bromotoluene (CAS# 17671-75-9) is a useful research chemical.
Molecular Weight:	277.16
Molecular Formula:	C14H13BrO
Canonical SMILES:	CC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br
InChI:	InChI=1S/C14H13BrO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:	KOLLVAZFQFRSHI-UHFFFAOYSA-N
Boiling Point:	360.9 °C at 760 mmHg
Density:	1.341 g/cm³
MDL:	MFCD01317796
LogP:	4.33650

Publication Number	Title	Priority Date
CN-107699252-B	Polymeric liquid crystal compound and preparation method and application thereof	20160808
US-2017290819-A1	Small molecule therapies for pulmonary hypertension	20160408
US-2016362606-A1	Polymerizable compounds and the use thereof in liquid-crystal displays	20150609
WO-2016196342-A1	Tetrasubstituted alkene compounds and their use	20150529
CN-104387265-A	Preparation method of 4,5-dihydroxyl-2-methyl benzoic acid	20141030

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Related Functional Groups

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.01498
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.01498
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4