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 M-IODOTOLUENE

SMILES

CC1=CC=CC(I)=C1

InChI

InChIKey=VLCPISYURGTGLP-UHFFFAOYSA-N
InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/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
Determination of thyreostats in urine and thyroid gland by ultra high performance liquid chromatography tandem mass spectrometry.
2009-11-13
Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists.
2006-05-04
Evaluation of automated nano-electrospray mass spectrometry in the determination of non-covalent protein-ligand complexes.
2004
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:33:26 GMT 2025
Edited
by admin
on Mon Mar 31 19:33:26 GMT 2025
Record UNII
2H574IR35G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-3775
Preferred Name English
M-IODOTOLUENE
Systematic Name English
TOLUENE, M-IODO-
Systematic Name English
3-IODOTOLUENE
Systematic Name English
3-TOLYL IODIDE
Systematic Name English
BENZENE, 1-IODO-3-METHYL-
Systematic Name English
M-METHYLPHENYL IODIDE
Systematic Name English
1-IODO-3-METHYLBENZENE
Systematic Name English
3-METHYLPHENYL IODIDE
Systematic Name English
3-METHYLIODOBENZENE
Systematic Name English
M-TOLYL IODIDE
Systematic Name English
IODOTOLUENE, 3-
Systematic Name English
M-METHYLIODOBENZENE
Systematic Name English
Code System Code Type Description
CAS
625-95-6
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY
NSC
3775
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-918-5
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID5060809
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY
FDA UNII
2H574IR35G
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY
PUBCHEM
12268
Created by admin on Mon Mar 31 19:33:26 GMT 2025 , Edited by admin on Mon Mar 31 19:33:26 GMT 2025
PRIMARY