1-CHLOROBUTANE-2,3-DIONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5ClO2
Molecular Weight	120.534
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-CHLOROBUTANE-2,3-DIONE

Structure Search

SMILES

CC(=O)C(=O)CCl

InChI

InChIKey=AHPSZWVDPABXPI-UHFFFAOYSA-N

InChI=1S/C4H5ClO2/c1-3(6)4(7)2-5/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H5ClO2
Molecular Weight	120.534
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 17:41:26 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:26 GMT 2025`
Record UNII	56EG3J96KQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-CHLOROBUTANE-2,3-DIONE

Systematic Name

English

1-CHLORO-2,3-BUTANEDIONE

Preferred Name

English

2,3-BUTANEDIONE, 1-CHLORO-

Systematic Name

English

Code System Code Type Description

FDA UNII

56EG3J96KQ

Created by admin on Tue Apr 01 17:41:26 GMT 2025 , Edited by admin on Tue Apr 01 17:41:26 GMT 2025

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ECHA (EC/EINECS)

226-928-8

Created by admin on Tue Apr 01 17:41:26 GMT 2025 , Edited by admin on Tue Apr 01 17:41:26 GMT 2025

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EPA CompTox

DTXSID90204136

Created by admin on Tue Apr 01 17:41:26 GMT 2025 , Edited by admin on Tue Apr 01 17:41:26 GMT 2025

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CAS

5559-62-6

Created by admin on Tue Apr 01 17:41:26 GMT 2025 , Edited by admin on Tue Apr 01 17:41:26 GMT 2025

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PUBCHEM

79680

Created by admin on Tue Apr 01 17:41:26 GMT 2025 , Edited by admin on Tue Apr 01 17:41:26 GMT 2025

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