2,3,6-TBA-SODIUM

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H2Cl3O2.Na
Molecular Weight	247.438
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3,6-TBA-SODIUM

Structure Search

SMILES

[Na+].[O-]C(=O)C1=C(Cl)C(Cl)=CC=C1Cl

InChI

InChIKey=DPMABEYFRYKAHD-UHFFFAOYSA-M

InChI=1S/C7H3Cl3O2.Na/c8-3-1-2-4(9)6(10)5(3)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C7H2Cl3O2
Molecular Weight	224.449
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 `Sat Dec 16 08:58:20 UTC 2023` Edited by `admin` on `Sat Dec 16 08:58:20 UTC 2023`
Record UNII	8FE75DUO4C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3,6-TBA-SODIUM

Common Name

English

SODIUM TCBA

Common Name

English

SODIUM 2,3,6-TRICHLOROBENZOATE

Systematic Name

English

BENZOIC ACID, 2,3,6-TRICHLORO-, SODIUM SALT (1:1)

Systematic Name

English

2,3,6-TBA-SODIUM [ISO]

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

17305

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

Code System Code Type Description

ALANWOOD

2,3,6-TBA-sodium

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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EPA CompTox

DTXSID3042396

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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ECHA (EC/EINECS)

218-205-0

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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FDA UNII

8FE75DUO4C

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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CAS

2078-42-4

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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PUBCHEM

23669616

Created by admin on Sat Dec 16 08:58:20 UTC 2023 , Edited by admin on Sat Dec 16 08:58:20 UTC 2023

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