4-Bromo-3-iodotoluene - CAS 858841-53-9

Catalog:	BB037755
Product Name:	4-Bromo-3-iodotoluene
CAS:	858841-53-9
Synonyms:	1-bromo-2-iodo-4-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2-iodo-4-methylbenzene
Description:	4-Bromo-3-iodotoluene (CAS# 858841-53-9) is a reagent used in pharmaceutical synthesis as well in the synthesis of graphene nanoribbons with near-infrared absorption.
Molecular Weight:	296.93
Molecular Formula:	C7H6BrI
Canonical SMILES:	CC1=CC(=C(C=C1)Br)I
InChI:	InChI=1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:	FLOUOTRVXNQGKP-UHFFFAOYSA-N
Boiling Point:	271.5 ℃ at 760 mmHg
Purity:	98 %
Density:	2.084 g/mL at 25 ℃
Appearance:	Colorless to dark brown liquid
MDL:	MFCD07784420
LogP:	3.36210

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
US-9751852-B1	Sulfoxide compound and method of producing benzothiophene derivatives using the same	20161201
US-9790199-B1	Sulfoxide compound and method of producing benzothiophene derivatives using the same	20161201
US-2018205021-A1	Organic thin-film transistor and method for manufacturing the same, material for organic thin-film transistor, composition for organic thin-film transistor, compound, and organic semiconductor film	20150804
EP-3305789-A1	Nitrogen-containing tricyclic derivative having hiv replication inhibitory activity	20150529

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

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