2-Iodotoluene - CAS 615-37-2

Name: 2-Iodotoluene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031167
Product Name:	2-Iodotoluene
CAS:	615-37-2
Synonyms:	1-iodo-2-methylbenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-iodo-2-methylbenzene
Description:	2-Iodotoluene (CAS# 615-37-2) is used as a reagent in the synthesis of aryl substituted quinones as β-secretase inhibitors.
Molecular Weight:	218.03
Molecular Formula:	C7H7I
Canonical SMILES:	CC1=CC=CC=C1I
InChI:	InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChI Key:	RINOYHWVBUKAQE-UHFFFAOYSA-N
Boiling Point:	211 °C
Purity:	98 %
Density:	1.713 g/cm³
Appearance:	Liquid
MDL:	MFCD00001042
LogP:	2.59960

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Related Functional Groups

Halides

[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]C8H17Cl
1-Chlorooctane

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

Publication Number	Title	Priority Date
WO-2021110136-A1	Pharmaceutical combination and use thereof	20191204
WO-2021113698-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
US-2021171548-A1	Organometallic compound, organic light-emitting device including organometallic compound and electronic apparatus including the organic light-emitting device	20191127
WO-2021104442-A1	Method and compositions for predicting anti-cancer efficacy of compounds targeting apoptosis pathway	20191127

PMID	Publication Date	Title	Journal
21472936	20110509	Mizoroki-heck-type reaction mediated by potassium tert-butoxide	Angewandte Chemie (International ed. in English)
20078160	20100107	Spin-orbit ab initio investigation of photolysis of o-, m-, and p-iodotoluene	The Journal of chemical physics
15844901	20050428	Structures, biological activities, and total syntheses of 13-hydroxy- and 13-acetoxy-14-nordehydrocacalohastine, novel modified furanoeremophilane-type sesquiterpenes from Trichilia cuneata	Organic letters
12596270	20030401	Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum	Proteins
12010023	20020522	Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates	Journal of the American Chemical Society

Complexity:	70.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.95925
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.95925
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9