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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5Cl3
Molecular Weight 195.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DICHLOROBENZYL CHLORIDE

SMILES

ClCC1=CC=C(Cl)C=C1Cl

InChI

InChIKey=IRSVDHPYXFLLDS-UHFFFAOYSA-N
InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

HIDE SMILES / InChI

Molecular Formula C7H5Cl3
Molecular Weight 195.474
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
2,4-Dichloro-1-[1-(2,4-dichloro-benz-yl-oxy)eth-yl]benzene.
2009 Dec 16
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.
2009 Jan-Feb
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:54 GMT 2023
Record UNII
85E96P2S3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DICHLOROBENZYL CHLORIDE
Systematic Name English
.ALPHA.,2,4-TRICHLOROTOLUENE
Systematic Name English
NSC-406892
Code English
1-CHLOROMETHYL-2,4-DICHLOROBENZENE
Systematic Name English
2,4-DICHLORO-1-(CHLOROMETHYL)BENZENE
Systematic Name English
BENZENE, 2,4-DICHLORO-1-(CHLOROMETHYL)-
Systematic Name English
TOLUENE, .ALPHA.,2,4-TRICHLORO-
Systematic Name English
2,4,.ALPHA.-TRICHLOROTOLUENE
Systematic Name English
OXICONAZOLE RELATED COMPOUND E [USP-RS]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1483470
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-381-0
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
PUBCHEM
7212
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
NSC
406892
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
FDA UNII
85E96P2S3S
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
CAS
94-99-5
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID9045005
Created by admin on Sat Dec 16 11:00:54 GMT 2023 , Edited by admin on Sat Dec 16 11:00:54 GMT 2023
PRIMARY