Murexide

HCID 18275CAS 3051-09-0

Basic information

Standard SMILES
O=C1NC(=O)C(=Nc2c([O-])[nH]c(=O)[nH]c2=O)C(=O)N1.[NH4+]
InChIKey
LJYRLGOJYKPILZ-UHFFFAOYSA-N
Molecular formula
C8H5N5O6.H3N
Average molar mass
284.19 g/mol
Monoisotopic mass
284.05053198

Overview

5,5'-Nitrilodibarbituric acid ammonium derivative. Used as an indicator for complexometric titrations.

Names & identifiers

Preferred name
Murexide
IUPAC
azanium 2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate
English name
Murexide
Molecular formula
C8H8N6O6
Molecular weight
284.19

Names & synonyms

Acid ammonium purpurateAmmonium salt purpuric acid4W6L62S876DTXSID40889371NSC-2152082,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)-, monoammonium saltPurpurate, AmmoniumAmmonium Purpurate, AcidPurpurate, Acid AmmoniumRefChem:160112DTXCID801028633
Show more names
AMMONIUM PERPURATEAmmonium puranateammonium 2,6-dioxo-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-olateCI 56085S NO 1138Naples redMurexide99%CI NO 56085
221-266-63051-09-0Ammonium PurpurateMurexideUNII-4W6L62S876EINECS 221-266-6NSC 215208Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate

Database identifiers

CAS
3051-09-0
PubChem CID
18275
DTXSID
DTXSID40889371
UNII
4W6L62S876
EC Number
221-266-6

Properties

Computed structural properties

Topological polar surface area
170 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
20

Experimental & physicochemical properties

Chemical ClassesDyes -> Indicator Dyes
Physical DescriptionPurple-red solid with a green metallic luster; [Merck Index] Dark red powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
300 °C · 300 °C
Boiling point
443.25 °C · 443.25°C (rough estimate)
Density
1.5756 · 1.5756 (rough estimate)
bulk density
330 kg/m3 · 330kg/m3
refractive index
1.8 · 1.8000 (estimate)
storage temp.
no restrictions.

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.

Not Classified

Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29335995
risk_code
22-40
Signal word
Warning

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

UsesUsed as an indicator (complexometric titrations); [Merck Index]
Applications · 2 items

UsesMurexide is used as a complexometric indicator in analytical chemistry for complexometric titrations of calcium, copper nickel and cobalt. It is an inhibitor of dihydrofolate reductase. Further, it acts as an enhancer of sonochemical destruction of chlorinated hydrocarbon pollutants.

UsesIndicator for complexometric titrations.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

3 records

Linked notes

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