2-Bromo-4-iodotoluene - CAS 26670-89-3

Catalog:	BB019340
Product Name:	2-Bromo-4-iodotoluene
CAS:	26670-89-3
Synonyms:	2-bromo-4-iodo-1-methylbenzene; 2-bromo-4-iodo-1-methylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-iodo-1-methylbenzene
Description:	2-Bromo-4-iodotoluene (CAS# 26670-89-3) is a useful research chemical.
Molecular Weight:	296.93
Molecular Formula:	C7H6BrI
Canonical SMILES:	CC1=C(C=C(C=C1)I)Br
InChI:	InChI=1S/C7H6BrI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChI Key:	ANRAKTDEUFLKDO-UHFFFAOYSA-N
Boiling Point:	263.604 °C at 760 mmHg
Density:	2.062 g/cm³
MDL:	MFCD07779014
LogP:	3.36210

Publication Number	Title	Priority Date
CN-113233957-A	Preparation method of 2-bromo-5-iodo-benzyl alcohol	20210603
CN-113264945-A	Spiro derivative, preparation method and medical application thereof	20200217
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
US-2020411764-A1	Organic electroluminescence device and polycyclic compound for organic electroluminescence device	20190628
CN-112151684-A	Organic electroluminescent device and polycyclic compound for organic electroluminescent device	20190628

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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:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.86976
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.86976
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6