Pentabromophenyl butyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H7Br5O2
Molecular Weight	558.681
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pentabromophenyl butyrate

Structure Search

SMILES

CCCC(=O)OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br

InChI

InChIKey=HQJQYDVEVAJKDJ-UHFFFAOYSA-N

InChI=1S/C10H7Br5O2/c1-2-3-4(16)17-10-8(14)6(12)5(11)7(13)9(10)15/h2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H7Br5O2
Molecular Weight	558.681
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 19:29:38 GMT 2025` Edited by `admin` on `Tue Apr 01 19:29:38 GMT 2025`
Record UNII	PR8HC8LM73
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pentabromophenyl butyrate

Systematic Name

English

2,3,4,5,6-Pentabromophenyl butanoate

Preferred Name

English

Butanoic acid, 2,3,4,5,6-pentabromophenyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

3019503

Created by admin on Tue Apr 01 19:29:38 GMT 2025 , Edited by admin on Tue Apr 01 19:29:38 GMT 2025

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CAS

83929-71-9

Created by admin on Tue Apr 01 19:29:38 GMT 2025 , Edited by admin on Tue Apr 01 19:29:38 GMT 2025

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EPA CompTox

DTXSID20232826

Created by admin on Tue Apr 01 19:29:38 GMT 2025 , Edited by admin on Tue Apr 01 19:29:38 GMT 2025

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ECHA (EC/EINECS)

281-365-5

Created by admin on Tue Apr 01 19:29:38 GMT 2025 , Edited by admin on Tue Apr 01 19:29:38 GMT 2025

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FDA UNII

PR8HC8LM73

Created by admin on Tue Apr 01 19:29:38 GMT 2025 , Edited by admin on Tue Apr 01 19:29:38 GMT 2025

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