1-(4-Chlorobutoxy)-4-methylbenzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H15ClO
Molecular Weight	198.689
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4-Chlorobutoxy)-4-methylbenzene

Structure Search

SMILES

CC1=CC=C(OCCCCCl)C=C1

InChI

InChIKey=VWDLBAQKWPLCJR-UHFFFAOYSA-N

InChI=1S/C11H15ClO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H15ClO
Molecular Weight	198.689
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 20:23:20 GMT 2025` Edited by `admin` on `Tue Apr 01 20:23:20 GMT 2025`
Record UNII	3JE85J3HN3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-75875

Preferred Name

English

1-(4-Chlorobutoxy)-4-methylbenzene

Systematic Name

English

Benzene, 1-(4-chlorobutoxy)-4-methyl-

Systematic Name

English

Code System Code Type Description

NSC

75875

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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FDA UNII

3JE85J3HN3

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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CAS

71720-44-0

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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ECHA (EC/EINECS)

275-893-5

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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PUBCHEM

96479

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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EPA CompTox

DTXSID50221940

Created by admin on Tue Apr 01 20:23:20 GMT 2025 , Edited by admin on Tue Apr 01 20:23:20 GMT 2025

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