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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4ClO4.Na
Molecular Weight 222.558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOSODIUM 4-CHLOROPHTHALATE

SMILES

[Na+].OC(=O)C1=CC(Cl)=CC=C1C([O-])=O

InChI

InChIKey=MWZMHSGEQHVWED-UHFFFAOYSA-M
InChI=1S/C8H5ClO4.Na/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C8H4ClO4
Molecular Weight 199.568
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:27 GMT 2023
Record UNII
Z8GR3B6G1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOSODIUM 4-CHLOROPHTHALATE
Systematic Name English
4-CHLORO-O-PHTHALIC ACID SODIUM SALT
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 4-CHLORO-, SODIUM SALT (1:1)
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 4-CHLORO-, MONOSODIUM SALT
Systematic Name English
4-CHLOROPHTHALIC ACID MONOSODIUM SALT
Systematic Name English
PHTHALIC ACID, 4-CHLORO-, SODIUM SALT
Systematic Name English
SODIUM 4-CHLOROPHTHALATE
Systematic Name English
Code System Code Type Description
FDA UNII
Z8GR3B6G1F
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
PRIMARY
CAS
56047-23-5
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
PRIMARY
CAS
74543-14-9
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
NON-SPECIFIC STOICHIOMETRY
EPA CompTox
DTXSID0044442
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-963-2
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
PRIMARY
PUBCHEM
2724244
Created by admin on Sat Dec 16 08:29:27 GMT 2023 , Edited by admin on Sat Dec 16 08:29:27 GMT 2023
PRIMARY