9-Bromoanthracene - CAS 1564-64-3

Catalog:	BB011227
Product Name:	9-Bromoanthracene
CAS:	1564-64-3
Synonyms:	9-bromoanthracene

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Computed Properties

IUPAC Name:	9-bromoanthracene
Description:	9-Bromoanthracene (CAS# 1564-64-3) is an intermediate in the synthesis of 9-substituted derivative of the polycyclic aromatic hydrocarbon (PAH) anthracene (A678400).
Molecular Weight:	257.13
Molecular Formula:	C14H9Br
Canonical SMILES:	C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
InChI:	InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChI Key:	ZIRVQSRSPDUEOJ-UHFFFAOYSA-N
Boiling Point:	389.7 ℃ at 760 mmHg
Melting Point:	97-100 ℃
Purity:	98 %
Density:	1.479 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00001243
LogP:	4.75550

Publication Number	Title	Priority Date
CN-113413628-A	9-bromoanthracene production process and rectification purification device used by same	20210625
CN-113024477-A	Triazine compound and preparation method thereof	20210312
CN-113013345-A	Application of low-refractive-index organic electron transmission material in top-emission organic light-emitting diode device	20210225
CN-112375002-A	2,4, 7-trisubstituted fluorene compound and electronic device thereof	20210118
CN-112375002-B	2,4, 7-trisubstituted fluorene compound and electronic device thereof	20210118

PMID	Publication Date	Title	Journal
21879097	20111001	Occurrence of chlorinated and brominated polycyclic aromatic hydrocarbons in surface sediments in Shenzhen, South China and its relationship to urbanization	Journal of environmental monitoring : JEM
19281194	20090403	Kinetics of bromine-magnesium exchange reactions in substituted bromobenzenes	The Journal of organic chemistry
18557642	20080718	Structural and variable-temperature NMR studies of 9-diisopropylphosphanylanthracenes and 9,10-bis(diisopropylphosphanyl)anthracenes and their oxidation products	The Journal of organic chemistry
18362959	20080407	Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids	Organic & biomolecular chemistry
21201508	20080123	4-(9-Anthryl)-2-methylbutyn-2-ol	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.98876
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.98876
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.2