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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13ClO2
Molecular Weight 212.673
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Chloromethyldihydrosafrole

SMILES

CCCC1=C(CCl)C=C2OCOC2=C1

InChI

InChIKey=HERYYLFZPLNJDW-UHFFFAOYSA-N
InChI=1S/C11H13ClO2/c1-2-3-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H13ClO2
Molecular Weight 212.673
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 Fri Dec 15 19:47:36 GMT 2023
Edited
by admin
on Fri Dec 15 19:47:36 GMT 2023
Record UNII
KK69BL3V3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Chloromethyldihydrosafrole
Systematic Name English
5-(Chloromethyl)-6-propyl-1,3-benzodioxole
Systematic Name English
5-Chloromethyl-6-propyl-1,3-benzodioxole
Systematic Name English
Toluene, α-chloro-4,5-(methylenedioxy)-2-propyl-
Systematic Name English
1,3-Benzodioxole, 5-(chloromethyl)-6-propyl-
Systematic Name English
3,4-Methylenedioxy-6-propyl-α-chlorotoluene
Systematic Name English
Code System Code Type Description
PUBCHEM
74739
Created by admin on Fri Dec 15 19:47:36 GMT 2023 , Edited by admin on Fri Dec 15 19:47:36 GMT 2023
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FDA UNII
KK69BL3V3G
Created by admin on Fri Dec 15 19:47:36 GMT 2023 , Edited by admin on Fri Dec 15 19:47:36 GMT 2023
PRIMARY
CAS
1938-32-5
Created by admin on Fri Dec 15 19:47:36 GMT 2023 , Edited by admin on Fri Dec 15 19:47:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-715-0
Created by admin on Fri Dec 15 19:47:36 GMT 2023 , Edited by admin on Fri Dec 15 19:47:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID8062070
Created by admin on Fri Dec 15 19:47:36 GMT 2023 , Edited by admin on Fri Dec 15 19:47:36 GMT 2023
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