1-Chloro-4-iodobenzene - CAS 637-87-6

Name: 1-Chloro-4-iodobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032273
Product Name:	1-Chloro-4-iodobenzene
CAS:	637-87-6
Synonyms:	1-chloro-4-iodobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-4-iodobenzene
Description:	1-Chloro-4-iodobenzene (CAS# 637-87-6) is used as a reagent in the synthesis of Clothiapine (C588550); an atypical antipsychotic of the dibenzothiazepine chemical class that has shown efficacy in treatment-resistant schizophrenic patients.
Molecular Weight:	238.45
Molecular Formula:	C6H4ClI
Canonical SMILES:	C1=CC(=CC=C1Cl)I
InChI:	InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H
InChI Key:	GWQSENYKCGJTRI-UHFFFAOYSA-N
Boiling Point:	226-227 °C
Purity:	99 %
Density:	226
Appearance:	White to light yellow crystal powder
MDL:	MFCD00001053
LogP:	2.94460

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Related Functional Groups

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

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GHS Hazard Statement:	H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113372255-A	Method for synthesizing 2-substituted indole derivative under catalysis of copper	20210628
CN-113292509-A	Aromatic thioether compound and preparation method and application thereof	20210611
CN-113336786-A	Diastereoselective polysubstituted naphthenic compound and preparation method thereof	20210531
CN-112961364-A	High-temperature-resistant polymer containing m-carborane group and preparation method thereof	20210222
CN-112812070-A	Method for preparing benzodiazepine compound by high-efficiency catalysis of palladium pyridine	20210130

PMID	Publication Date	Title	Journal
16131201	20050907	Iodobenzene-catalyzed alpha-acetoxylation of ketones. in situ generation of hypervalent (diacyloxyiodo)benzenes using m-chloroperbenzoic acid	Journal of the American Chemical Society
15861389	20050805	Orientational isomerism and binding ability of nonsymmetrical guests encapsulated in a self-assembling heterodimeric capsule	Chemistry (Weinheim an der Bergstrasse, Germany)
15026040	20040405	Synthesis of N tau-arylhistidine derivatives via direct N-arylation	Bioorganic & medicinal chemistry letters

Complexity:	66.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.90463
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.90463
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6