U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4O4.2Na
Molecular Weight 210.0945
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM PHTHALATE

SMILES

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

InChI

InChIKey=HQWKKEIVHQXCPI-UHFFFAOYSA-L
InChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C8H4O4
Molecular Weight 164.115
Charge -2
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 Fri Dec 15 19:38:17 UTC 2023
Edited
by admin
on Fri Dec 15 19:38:17 UTC 2023
Record UNII
QB14YV193C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM PHTHALATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, SODIUM SALT (1:2)
Systematic Name English
PHTHALIC ACID, DISODIUM SALT
Common Name English
SODIUM PHTHALATE
Systematic Name English
O-PHTHALIC ACID DISODIUM SALT
Common Name English
Code System Code Type Description
PUBCHEM
85215
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
CAS
15968-01-1
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
240-106-6
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
FDA UNII
QB14YV193C
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
RXCUI
2274243
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
DAILYMED
QB14YV193C
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID60889651
Created by admin on Fri Dec 15 19:38:17 UTC 2023 , Edited by admin on Fri Dec 15 19:38:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE