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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7Cl3O2
Molecular Weight 205.467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL TRICHLOROACETATE

SMILES

CC(C)OC(=O)C(Cl)(Cl)Cl

InChI

InChIKey=JYXIYFNAIFVCAN-UHFFFAOYSA-N
InChI=1S/C5H7Cl3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOPROPYL TRICHLOROACETATE
Systematic Name English
NSC-50959
Preferred Name English
ACETIC ACID, TRICHLORO-, ISOPROPYL ESTER
Systematic Name English
ACETIC ACID, 2,2,2-TRICHLORO-, 1-METHYLETHYL ESTER
Systematic Name English
ACETIC ACID, TRICHLORO-, 1-METHYLETHYL ESTER
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 76802
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
Code System Code Type Description
FDA UNII
495Q31K6FH
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY
NSC
50959
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID1042073
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY
PUBCHEM
77598
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY
CAS
3974-99-0
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-604-8
Created by admin on Mon Mar 31 21:51:13 GMT 2025 , Edited by admin on Mon Mar 31 21:51:13 GMT 2025
PRIMARY