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1,3-Dibromo-2-methoxybenzene

1,3-Dibromo-2-methoxybenzene - CAS 38603-09-7

Catalog:	BB023715
Product Name:	1,3-Dibromo-2-methoxybenzene
CAS:	38603-09-7
Synonyms:	1,3-dibromo-2-methoxybenzene; 1,3-dibromo-2-methoxybenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,3-dibromo-2-methoxybenzene
Description:	1,3-Dibromo-2-methoxybenzene (CAS# 38603-09-7) is a useful research chemical.
Molecular Weight:	265.93
Molecular Formula:	C7H6Br2O
Canonical SMILES:	COC1=C(C=CC=C1Br)Br
InChI:	InChI=1S/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChI Key:	BMZVDHQOAJUZJL-UHFFFAOYSA-N
Boiling Point:	253.7 °C at 760 mmHg
Density:	1.823 g/cm³
MDL:	MFCD00093270
LogP:	3.22020

Publication Number	Title	Priority Date
CN-112480136-A	Heteroatom-bridged carbazole derivatives and uses thereof	20201123
CN-113121364-A	Nitrogen-containing compound, organic electroluminescent device, and electronic device	20191231
WO-2021136064-A1	Nitrogen-containing compound, organic electroluminescent device, and electronic apparatus	20191231
KR-20190121744-A	5 substituted indenofluorene derivative compound and organic electroluminescent device including the same	20191021
KR-102128372-B1	5 substituted indenofluorene derivative compound and organic electroluminescent device including the same	20191021

PMID	Publication Date	Title	Journal
21201442	20080109	(2-Meth-oxy-1,3-phenyl-ene)diboronic acid	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Halides

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GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	97.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.87649
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.87854
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3