2-Bromo-5-iodotoluene - CAS 202865-85-8

Catalog:	BB015772
Product Name:	2-Bromo-5-iodotoluene
CAS:	202865-85-8
Synonyms:	1-bromo-4-iodo-2-methylbenzene; 1-bromo-4-iodo-2-methylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1-bromo-4-iodo-2-methylbenzene
Description:	2-Bromo-5-iodotoluene (CAS# 202865-85-8) is a useful research chemical.
Molecular Weight:	296.93
Molecular Formula:	C7H6BrI
Canonical SMILES:	CC1=C(C=CC(=C1)I)Br
InChI:	InChI=1S/C7H6BrI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChI Key:	QSQOGKONVJDRNH-UHFFFAOYSA-N
Boiling Point:	148 °C / 20 mmHg
Density:	2.07 g/cm³
MDL:	MFCD00070749
LogP:	3.36210

Publication Number	Title	Priority Date
JP-2021138915-A	Arylamine-fluorene alternating copolymer, and electroluminescence element materials and electroluminescence elements using the copolymer.	20200305
KR-20210105042-A	An electroluminescent compound and an electroluminescent device comprising the same	20200218
US-2021128532-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
WO-2021086874-A1	Heterocyclic carboxylate compounds as glycolate oxidase inhibitors	20191101
CN-110571340-A	Organic electroluminescent device and electronic apparatus	20190823

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Related Functional Groups

Halides

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GHS Hazard Statement:	H315 (90.91%): 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