2-Chloro-4-iodotoluene - CAS 83846-48-4

Catalog:	BB037099
Product Name:	2-Chloro-4-iodotoluene
CAS:	83846-48-4
Synonyms:	2-chloro-4-iodo-1-methylbenzene; 2-chloro-4-iodo-1-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-iodo-1-methylbenzene
Description:	2-Chloro-4-iodotoluene (CAS# 83846-48-4) is a useful research chemical.
Molecular Weight:	252.48
Molecular Formula:	C7H6ClI
Canonical SMILES:	CC1=C(C=C(C=C1)I)Cl
InChI:	InChI=1S/C7H6ClI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChI Key:	PJYASWQMTNNSSL-UHFFFAOYSA-N
Boiling Point:	241.1 °C at 760 mmHg
Density:	1.8 g/cm³
Appearance:	Pale yellow to yellow liquid
LogP:	3.25300

Publication Number	Title	Priority Date
CN-111097520-A	Covalent organic framework material loaded Pd catalyst and preparation method and application thereof	20191213
WO-2021107474-A1	Compound and organic light-emitting device comprising same	20191125
US-2020255394-A1	Crystalline solid forms of n-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2h-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis	20180926
US-10968192-B2	Crystalline solid forms of N-(1-((2-(dimethylamino)ethyl)amino)-2-methyl-1-oxopropan-2-yl)-4-(4-(2-methyl-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)benzyl)phenyl)butanamide and methods of their synthesis	20180926
IL-275766-D0	Alkylene compounds are converted as anticancer substances	20180117

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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:	251.92028
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.92028
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6