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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13Cl
Molecular Weight 168.663
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Chlorobutyl)benzene

SMILES

ClCCCCC1=CC=CC=C1

InChI

InChIKey=FLLZCZIHURYEQP-UHFFFAOYSA-N
InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

HIDE SMILES / InChI

Molecular Formula C10H13Cl
Molecular Weight 168.663
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 Tue Apr 01 18:49:52 GMT 2025
Edited
by admin
on Tue Apr 01 18:49:52 GMT 2025
Record UNII
3S6FMP9C4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Chlorobutyl)benzene
Systematic Name English
Benzene, (4-chlorobutyl)-
Preferred Name English
Code System Code Type Description
CAS
4830-93-7
Created by admin on Tue Apr 01 18:49:52 GMT 2025 , Edited by admin on Tue Apr 01 18:49:52 GMT 2025
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EPA CompTox
DTXSID20197486
Created by admin on Tue Apr 01 18:49:52 GMT 2025 , Edited by admin on Tue Apr 01 18:49:52 GMT 2025
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PUBCHEM
78543
Created by admin on Tue Apr 01 18:49:52 GMT 2025 , Edited by admin on Tue Apr 01 18:49:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-408-8
Created by admin on Tue Apr 01 18:49:52 GMT 2025 , Edited by admin on Tue Apr 01 18:49:52 GMT 2025
PRIMARY
FDA UNII
3S6FMP9C4G
Created by admin on Tue Apr 01 18:49:52 GMT 2025 , Edited by admin on Tue Apr 01 18:49:52 GMT 2025
PRIMARY