CAS 144-62-7|CAS 10377-62-5|oxalic acid|oxalic acid|Ethanedioic acid|Oxalic Acid|MAGNESIUM PERMANGANATE|oxalic acid|草酸|Oxalic acid|Oxalic acid standard solution|Oxalate standard for IC|草酸根标准液...

General Information

Structure

Molecular Formula

C₂H₂O₄

Molecular Mass

90.03488

Exact Mass

89.99530854

Charge

InChI

InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

InChIKey

MUBZPKHOEPUJKR-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(=O)O

Isomeric Smiles

OC(=O)C(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-6.88

LogD (pH = 5.5)

-5.10

Log P

-0.26

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.36

Polar Surface Area

74.60

Polarizability

6.23

Molar Refractivity

14.44

LOG S

0.38

Data Source

Academic Data

971

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

oxalic acid

IUPAC name

oxalic acid

Synonyms

Ethanedioic acidOxalic AcidMAGNESIUM PERMANGANATEoxalic acid草酸Oxalic acidOxalic acid standard solutionOxalate standard for IC草酸根标准液，用于离子色谱Oxalic acid solution草酸溶液草酸标准溶液Oxalic acid concentrateOxalic acid solutionOxalic acid, 0.1N Standardized Solution草酸, 无水Oxalic acid, anhydrous草酸, 0.1N 标准溶液NSC 151956AktisalNSC 62774Ultraplast Activate S 52NSC 132055DeerCleanNSC 76990AquisalOXALIC ACIDEthandisaeureOxalsaeureoxalic acidH2oxHOOCCOOHethane-1,2-dioic acidOxalic acidEthanedioic acid

Names and Identifiers

Registration numbers

Beilstein Number

3856863679436

EC Number

205-634-3231-791-2233-827-2

MDL Number

MFCD00002573

PubChem SID

248544662485914924861802248858252485163316096697824863904465078302486390124886864248610802488436424861803248457578145734

CAS Number

Merck Index

PubChem CID

Gmelin ID

ATC CODE

MeSH Name

Unique Ingredient Identifier

9E7R5L6H31

Wikipedia Title

Oxalic_acid

CHEBI ID

16995CHEBI:7811CHEBI:25730CHEBI:16995CHEBI:44583

CHEMBL

Chemspider ID

KEGG ID

DrugBank ID

BRENDA Database

4.2.1.1043.7.1.66.2.1.91.1.1.261.2.1.211.1.1.822.8.3.23.11.1.31.5.1.74.1.3.321.3.1.74.1.1.21.11.1.61.1.1.B31.1.1.28

MetaCyc Database

OXALATE

UniProt Database

B1IX88Q6LYV9A9AB67Q7LBE3Q8HY59Q9FIC8Q9SR72Q6YZA4Q86XE5P52480O34714Q7U0G9Q652P9P93000Q12WF6

Patent number

EP1731142US2005165093EP1845088EP1953151WO2005105762US2008096946WO2006089788EP1637547WO2005023198EP1886660EP1104765US2007196302US2007219248US2006030571

Reactom Database

R-HSA-389862

Golm Database

ca4e803e-8646-48a0-ba92-6edd5c2293e53fdbc976-38cd-4821-a0a9-77a1497cfbd4ad304d2f-132a-4bba-8e72-d931e77e1c6e4cb4bba8-355d-4db0-9595-c6e2705f74c98ccb3ed0-eaae-483f-bfa2-226d6425f0cd72097e30-090e-4dd5-8dab-474f04a8548bfc8d327d-e43e-4fd7-b435-17d110e2e24caece0850-8ad8-4e68-8e81-9781e2c9c36ba9f7a497-ecf7-4766-80a8-d45dbdb2e1f9df40bf6b-7a91-4d88-9342-e861bcf5f5fd5cea664c-583e-497f-88ff-11a8d6d82060

MetaboLights Database

MTBLS583MTBLS1796MTBLS726MTBLS2279MTBLS2597MTBLS2542MTBLS14MTBLS5405MTBLS2974MTBLS43MTBLS872MTBLS801MTBLS690MTBLS2145MTBLS2633

Protein Data Bank

4inf1ytm4ywb6ipd7qdn6vb95v0t4z0p6tv01o4n4iuw5ie34wj84r2k7wh04uzi

SABIO-RK Database

71789089076734977414914090110958314841718010290110262

LIPID MAPS Instance

LMFA01170031

NMRShiftDB Database

10016797

CompTox Database

DTXSID0025816

BRENDA Ligand Database

96885106026985279518795746

PDBeChem Database

OXD

BKMS React Database

96885106026985279574695187

SureChEMBL Database

SCHEMBL776

PubMed Citation Links

KNApSAcK Database

Reaxys Registry

BindingDB Database

ACToR Database

HMDB Database

Registration numbers

Properties

Related Proteins

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

DrugBank

DB03902

Drug Groups

experimental

Description

A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. [PubChem]

MP Biomedicals

02150144

Free Acid
Purity: 99+%
Crystalline

05221298

MP Biomedicals Rare Chemical collection

Wikipedia

Oxalic_acid

Sigma Aldrich

241172

Packaging
50 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

658537

Packaging
25, 100 g in poly bottle

194131

Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle

94669

General description
Visit our Titration Center to learn more.

04621

Other Notes
Aqueous solutions of oxalate in 0.1% benzoic acid.
Preparation Note
prepared with oxalic acid and H2O
General description
filtered through a 0.45 μm membrane filter

34287

General description
Visit our Titration Center to learn more.

319201

General description
Visit our Titration Center to learn more.
Packaging
500 mL in poly bottle

38250

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.05mol/L (0.1N); amount of substance 0.05mol (6.303 g (COOH)2 · 2H2O)

TRC

O845120

An impurity of oxaliplatin which is a coordination complex that is used in cancer chemotherapy. A reducing agent and its conjugate base, known as oxalate (C₂O₄^2-), is a useful chelating agent for metal cations.

ChEBI

CHEBI:16995

An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

Molecule Details

References

PubChem Literature

From Data Sources

• Wheate, N., et al.: Dalton Trans., 39, 8113 (2010)

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

• Commercial Catalog

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• Beilstein Number

• EC Number

• MDL Number

• PubChem SID

• CAS Number

• Merck Index

• PubChem CID

• Gmelin ID

• ATC CODE

• MeSH Name

• Unique Ingredient Identifier

• Wikipedia Title

• CHEBI ID

• CHEMBL

• Chemspider ID

• KEGG ID

• DrugBank ID

• BRENDA Database

• MetaCyc Database

• UniProt Database

• Patent number

• Reactom Database

• Golm Database

• MetaboLights Database

• Protein Data Bank

• SABIO-RK Database

• LIPID MAPS Instance

• NMRShiftDB Database

• CompTox Database

• BRENDA Ligand Database

• PDBeChem Database

• BKMS React Database

• PDB Bank

• DrugBank

• MP Biomedicals

• Wikipedia

• Sigma Aldrich

• TRC

• ChEBI

Molecule Details

References

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

IUPAC Traditional name

oxalic acid

IUPAC name

oxalic acid

Synonyms

From Data Sources

• Wheate, N., et al.: Dalton Trans., 39, 8113 (2010)

Commercial Catalog

Beilstein Number

MDL Number

MeSH Name

Unique Ingredient Identifier

Wikipedia Title

MetaCyc Database

Reactom Database

LIPID MAPS Instance

NMRShiftDB Database

CompTox Database

BRENDA Ligand Database

96885106026985279518795746

PDBeChem Database

OXD

BKMS React Database

96885106026985279574695187

SureChEMBL Database

SCHEMBL776

PubMed Citation Links

KNApSAcK Database

Reaxys Registry

BindingDB Database

ACToR Database

HMDB Database

DB03902

Drug Groups

experimental

Description

MP Biomedicals

02150144

Free Acid
Purity: 99+%
Crystalline

05221298

MP Biomedicals Rare Chemical collection

Sigma Aldrich

241172

Packaging
50 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

658537

Packaging
25, 100 g in poly bottle

194131

Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle

94669

General description
Visit our Titration Center to learn more.

04621

Other Notes
Aqueous solutions of oxalate in 0.1% benzoic acid.
Preparation Note
prepared with oxalic acid and H2O
General description
filtered through a 0.45 μm membrane filter

34287

General description
Visit our Titration Center to learn more.

319201

General description
Visit our Titration Center to learn more.
Packaging
500 mL in poly bottle

38250

General description
Visit our Titration Center to learn more.
concentration after dilution to 1L: 0.05mol/L (0.1N); amount of substance 0.05mol (6.303 g (COOH)2 · 2H2O)

TRC

O845120

ChEBI

CHEBI:16995

An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

Physical Property

Safety Information

Product Information

Pharmacology Properties

human ... SRC(6714)

Hazard Class

6.1

EU Classification

TC2

EU Hazard Identification Number

6.1B

RTECS

RO2450000

European Hazard Symbols

Harmful (Xn)

Harmful (X)

Corrosive (C)

Irritant (Xi)

Safety Statements

S:24/25-26

26-36-37-39

36/37

24/25

Risk Statements

Emergency Response Guidebook(ERG) Number

154

Storage Condition

Room Temperature (15-30°C)

Refrigerator

NFPA704

Main Hazard

Toxic

GHS Hazard statements

GHS Precautionary statements

P280-P305+P351+P338

P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A

P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

GHS Signal Word

Danger

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Eyeshields, Gloves

Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

German water hazard class

nwg

RID/ADR

UN 3261 8/PG 3

TSCA Listed

是

5% w/v aq. soln.

Certificate of Analysis

Download link

Linear Formula

HO2CCO2H

HOOCCOOH

Grade

Concentration

Quality

volumetric

Shelf Life

(limited shelf life, expiry date on the label)

Factor

1.000 ±0.001

1.000 ±0.002

Packaging

pkg of 0.05 mol (6.303 g (COOH)2 · 2H2O)

pkg of 0.005 mol (0.630 g (COOH)2 · 2H2O)

Impurities

~1% water

≤1% water

≤0.001% total nitrogen (N)

Antion Traces

chloride (Cl-): ≤50 mg/kg

sulfate (SO42-): ≤50 mg/kg

Cation Traces

Ignition Residue

≤0.01% (as SO4)

Molecule

ID:3539