3051-09-0 structure, C8H8N6O6

Murexide

CAS No.

3051-09-0

Formula:

C8H8N6O6

Basic Info

Murexide (NH4C8H4N5O6, or C8H5N5O6·NH3), also called ammonium purpurate or MX, is the ammonium salt of purpuric acid. It may be prepared by heating alloxantin in ammonia gas to 100°C, or by boiling uramil (5-aminobarbituric acid) with mercury oxide. W.N. Hartley found considerable difficulty in obtaining specimens of murexide sufficiently pure to give concordant results when examined by means of their absorption spectra, and consequently devised a new method of preparation for murexide. In this process alloxantin is dissolved in a large excess of boiling absolute alcohol, and dry ammonia gas is passed into the solution for about three hours. The solution is then filtered from the precipitated murexide, which is washed with absolute alcohol and dried. The salt obtained in this way is in the anhydrous state. It may also be prepared by digesting alloxan with alcoholic ammonia at about 78°C; the purple solid so formed is easily soluble in water, and the solution produced is indistinguishable from one of murexide.
Murexide in its dry state has the appearance of a reddish purple powder, slightly soluble in water. In solution, its color ranges from yellow in strong acidic pH through reddish-purple in weakly acidic solutions to blue-purple in alkaline solutions. The pH for titration of calcium is 11.3.
Justus von Liebig and Friedrich Wöhler in Giessen, Germany, had investigated the purple product, murexide, obtained from snake excrement in the 1830s but this was not an abundant raw material and a method of using it as a dyestuff was not established at that time. In the 1850s, French colorists and dye-producers, such as Depoully in Paris, succeeded in making murexide from abundant South American guano, and of applying it to natural fibers. It was then widely adopted in Britain, France and Germany.
Murexide is used in analytical chemistry as a complexometric indicator for complexometric titrations, most often of calcium ions, but also for Cu, Ni, Co, Th and rare earth metals. Cf. Eriochrome Black T. Due to the minute amounts needed for this purpose, it is often used in a 1:250 mixture with potassium sulfate.; Murexide is also used as a colorimetric reagent for measurement of calcium and rare earth metals; for calcium, the pH required is 11.3, detection range lies between 0.2 and 1.2ppm, and the maximum absorbance wavelength is 506nm.; Murexide and methyl red are investigated as promising enhancers of sonochemical destruction of chlorinated hydrocarbon pollutants.

Formula
C8H8N6O6
Molecular Weight
284.186
Exact Mass
284.051
LogP
-1.8112
PSA
176.82
Synonyms

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

S NO 1138

(2,4,6-Trioxo-hexahydro-pyrimidin-5-yl)-(2,4,6-trioxo-tetrahydro-pyrimidin-5-yliden)-amin,Ammonium-Salz

ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate

(2,4,6-trioxo-hexahydro-pyrimidin-5-yl)-(2,4,6-trioxo-tetrahydro-pyrimidin-5-yliden)-amin,ammonium salt

Naples red

5,5'-Nitrilodibarbituric acid monoammonium salt

Ammonium Purpurate

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

monoammoniumsalt

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Properties

Appearance & Physical State
dark red or purple powder
Boiling Point
480.8ºC at 760mmHg
Melting Point
>300ºC
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Info

Safety Statements
S24/25; S22; S36/37
WGK Germany
3
Risk Statements
R22
HS Code
29335995
Hazard Codes

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Murexide

1.2 Other means of identification

Product number -
Other names 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, monoammonium salt

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Murexide Murexide 3051-09-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state dark red or purple powder
Colour no data available
Odour no data available
Melting point/ freezing point -23°C(lit.)
Boiling point or initial boiling point and boiling range 170°C/12mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 21°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density no data available
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN3465 IMDG: UN3465 IATA: UN3465

14.2 UN Proper Shipping Name

ADR/RID: ORGANOARSENIC COMPOUND, SOLID, N.O.S.
IMDG: ORGANOARSENIC COMPOUND, SOLID, N.O.S.
IATA: ORGANOARSENIC COMPOUND, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Murexide Murexide 3051-09-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: Calcium Hardness Indicator Tablets Material Safety Data Sheet
Synonym: Non
CAS: 3051-09-0
Section 1 - Chemical Product   MSDS Name:Calcium Hardness Indicator Tablets Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3051-09-0 Murexide 0.4mg/ta 221-266-6
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Dust may cause mechanical irritation.
Skin:
May cause skin irritation.
Ingestion:
Ingestion of large amounts may cause gastrointestinal irritation.
May cause gastric disturbances and electrolytic imbalance.
Inhalation:
May cause respiratory tract irritation. Low hazard for usual industrial handling.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Material will not burn. Use extinguishing media appropriate to the surrounding fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid prolonged or repeated contact with skin. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3051-09-0: CAS# 7647-14-5: Russia: 5 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water
Specific Gravity/Density: Not available.
Molecular Formula: Not applicable.
Molecular Weight: 0

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Irritating and toxic gases.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3051-09-0 unlisted.
CAS# 7647-14-5: VZ4725000 LD50/LC50:
Not available.
CAS# 7647-14-5: Draize test, rabbit, eye: 100 mg Mild; Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, eye: 10 mg Moderate; Draize test, rabbit, skin: 50 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Inhalation, rat: LC50 = >42 gm/m3/1H; Oral, mouse: LD50 = 4 gm/kg; Oral, rat: LD50 = 3000 mg/kg; Skin, rabbit: LD50 = >10 gm/kg.
Carcinogenicity:
Murexide - Not listed by ACGIH, IARC, or NTP.
Sodium chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
No data

Section 13 - DISPOSAL CONSIDERATIONS
  Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 3051-09-0: No information available.
CAS# 7647-14-5: 0
Canada
CAS# 3051-09-0 is listed on Canada's DSL List.
CAS# 7647-14-5 is listed on Canada's DSL List.
CAS# 3051-09-0 is not listed on Canada's Ingredient Disclosure List.
CAS# 7647-14-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3051-09-0 is listed on the TSCA inventory.
CAS# 7647-14-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

Related Compound Information