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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11I
Molecular Weight 246.0881
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-Trimethyliodobenzene

SMILES

CC1=CC(C)=C(I)C(C)=C1

InChI

InChIKey=GTPNXFKONRIHRW-UHFFFAOYSA-N
InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H11I
Molecular Weight 246.0881
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:29:03 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:03 GMT 2023
Record UNII
PUU75HP3GE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-Trimethyliodobenzene
Systematic Name English
2-Iodo-1,3,5-trimethylbenzene
Systematic Name English
1,3,5-Trimethyl-2-iodobenzene
Systematic Name English
2-Iodomesitylene
Systematic Name English
Benzene, 2-iodo-1,3,5-trimethyl-
Systematic Name English
NSC-68044
Code English
Code System Code Type Description
FDA UNII
PUU75HP3GE
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY
PUBCHEM
77647
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-709-9
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID60193265
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY
CAS
4028-63-1
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY
NSC
68044
Created by admin on Sat Dec 16 12:29:03 GMT 2023 , Edited by admin on Sat Dec 16 12:29:03 GMT 2023
PRIMARY