4-tert-Butylbenzoyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13ClO
Molecular Weight	196.673
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-tert-Butylbenzoyl chloride

Structure Search

SMILES

CC(C)(C)C1=CC=C(C=C1)C(Cl)=O

InChI

InChIKey=WNLMYNASWOULQY-UHFFFAOYSA-N

InChI=1S/C11H13ClO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H13ClO
Molecular Weight	196.673
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 `Wed Apr 02 17:31:45 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:45 GMT 2025`
Record UNII	JP27WES49W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoyl chloride, 4-(1,1-dimethylethyl)-

Preferred Name

English

4-tert-Butylbenzoyl chloride

Systematic Name

English

p-tert-Butylbenzoyl chloride

Systematic Name

English

4-tert-Butylbenzoic acid chloride

Systematic Name

English

4-(1,1-Dimethylethyl)benzoyl chloride

Systematic Name

English

Code System Code Type Description

CAS

1710-98-1

Created by admin on Wed Apr 02 17:31:45 GMT 2025 , Edited by admin on Wed Apr 02 17:31:45 GMT 2025

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ECHA (EC/EINECS)

216-973-1

Created by admin on Wed Apr 02 17:31:45 GMT 2025 , Edited by admin on Wed Apr 02 17:31:45 GMT 2025

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EPA CompTox

DTXSID0061903

Created by admin on Wed Apr 02 17:31:45 GMT 2025 , Edited by admin on Wed Apr 02 17:31:45 GMT 2025

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FDA UNII

JP27WES49W

Created by admin on Wed Apr 02 17:31:45 GMT 2025 , Edited by admin on Wed Apr 02 17:31:45 GMT 2025

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PUBCHEM

74372

Created by admin on Wed Apr 02 17:31:45 GMT 2025 , Edited by admin on Wed Apr 02 17:31:45 GMT 2025

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