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2-Bromo-1-iodo-4-methoxybenzene

2-Bromo-1-iodo-4-methoxybenzene - CAS 466639-53-2

Catalog:	BB026163
Product Name:	2-Bromo-1-iodo-4-methoxybenzene
CAS:	466639-53-2
Synonyms:	2-bromo-1-iodo-4-methoxybenzene; 2-bromo-1-iodo-4-methoxybenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-bromo-1-iodo-4-methoxybenzene
Description:	2-Bromo-1-iodo-4-methoxybenzene (CAS# 466639-53-2) is a useful research chemical.
Molecular Weight:	312.93
Molecular Formula:	C7H6BrIO
Canonical SMILES:	COC1=CC(=C(C=C1)I)Br
InChI:	InChI=1S/C7H6BrIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:	DIQUDEJWQWDXHP-UHFFFAOYSA-N
Boiling Point:	284.87 °C at 760 mmHg
Density:	2.063 g/cm³
MDL:	MFCD12547848
LogP:	3.06230

Publication Number	Title	Priority Date
CN-112480160-A	Second-order silane derivative, chiral third-order silane derivative, preparation method of chiral fourth-order silane derivative and chiral product of chiral fourth-order silane derivative	20201020
WO-2021018270-A1	Host compound and organic electroluminescent device using same	20190801
TW-202015270-A	Organic compound and organic electroluminescence element using the same	20181003
BR-102018002164-A2	compounds for the treatment of hepatitis b virus infection	20170202
EP-3078721-A1	Compound and organic light-emitting device including the same	20150407

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.86467
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.86467
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2