U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H7I
Molecular Weight 218.035
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-IODOTOLUENE

SMILES

CC1=CC=CC=C1I

InChI

InChIKey=RINOYHWVBUKAQE-UHFFFAOYSA-N
InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C7H7I
Molecular Weight 218.035
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates.
2002 May 22
Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum.
2003 Apr 1
Structures, biological activities, and total syntheses of 13-hydroxy- and 13-acetoxy-14-nordehydrocacalohastine, novel modified furanoeremophilane-type sesquiterpenes from Trichilia cuneata.
2005 Apr 28
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:47 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:47 GMT 2023
Record UNII
8OK4H85T07
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-IODOTOLUENE
Common Name English
2-METHYL-1-IODOBENZENE
Systematic Name English
2-TOLYL IODIDE
Systematic Name English
2-IODOTOLUENE
Systematic Name English
O-METHYLIODOBENZENE
Common Name English
O-TOLYL IODIDE
Common Name English
1-IODO-2-METHYLBENZENE
Systematic Name English
2-METHYLIODOBENZENE
Systematic Name English
2-METHYLPHENYL IODIDE
Systematic Name English
BENZENE, 1-IODO-2-METHYL-
Systematic Name English
NSC-3774
Code English
TOLUENE, O-IODO-
Common Name English
O-METHYLPHENYL IODIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID0060646
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
CAS
615-37-2
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
NSC
3774
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
FDA UNII
8OK4H85T07
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-422-9
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
PUBCHEM
5128
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY
CHEBI
39813
Created by admin on Sat Dec 16 08:05:47 GMT 2023 , Edited by admin on Sat Dec 16 08:05:47 GMT 2023
PRIMARY