4-(4-Bromophenoxy)phenol - CAS 13320-48-4

Catalog:	BB007705
Product Name:	4-(4-Bromophenoxy)phenol
CAS:	13320-48-4
Synonyms:	4-(4-bromophenoxy)phenol

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Computed Properties

IUPAC Name:	4-(4-bromophenoxy)phenol
Description:	4-(4-Bromophenoxy)phenol (CAS# 13320-48-4) is a useful research chemical.
Molecular Weight:	265.10
Molecular Formula:	C12H9BrO2
Canonical SMILES:	C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br
InChI:	InChI=1S/C12H9BrO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChI Key:	HMBBTPMHPQGJMR-UHFFFAOYSA-N
Boiling Point:	359.5 ℃ at 760 mmHg
Melting Point:	73-78 ℃
Purity:	95 %
Density:	1.518 g/cm³
Appearance:	White to tan solid, powder, crystals, crystalline powder and/or chunks
Storage:	2-8 ℃
MDL:	MFCD08446910
LogP:	3.94700

Publication Number	Title	Priority Date
DE-102019116397-A1	Optochemical sensor, sensor cap and method for producing an analyte-sensitive layer	20190617
CN-110452167-B	Quinoline derivatives, preparation method and application thereof	20180416
AU-2018290511-A1	Dihydropyrimidine compounds and uses thereof in medicine	20170626
EP-3658554-A1	Dihydropyrimidine compounds and uses thereof in medicine	20170626
KR-20200032098-A	Dihydropyrimidine compounds and their use in pharmaceuticals	20170626

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264, P273, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, P391, and P501
Signal Word:	Danger

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.97859
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	263.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4