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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7Cl3
Molecular Weight 161.457
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3-Trichloro-2-methylpropane

SMILES

CC(Cl)(CCl)CCl

InChI

InChIKey=XMCSILBVFPYTLC-UHFFFAOYSA-N
InChI=1S/C4H7Cl3/c1-4(7,2-5)3-6/h2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H7Cl3
Molecular Weight 161.457
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 Wed Apr 02 14:48:32 GMT 2025
Edited
by admin
on Wed Apr 02 14:48:32 GMT 2025
Record UNII
RJ5LM3NG4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3-Trichloro-2-methylpropane
Systematic Name English
NSC-96390
Preferred Name English
Propane, 1,2,3-trichloro-2-methyl-
Systematic Name English
1,2,3-Trichloroisobutane
Common Name English
Code System Code Type Description
CAS
1871-58-5
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
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EPA CompTox
DTXSID70171978
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
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ECHA (EC/EINECS)
217-490-9
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
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FDA UNII
RJ5LM3NG4W
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
PRIMARY
PUBCHEM
74636
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
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CHEBI
143853
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
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NSC
96390
Created by admin on Wed Apr 02 14:48:32 GMT 2025 , Edited by admin on Wed Apr 02 14:48:32 GMT 2025
PRIMARY