541-53-7 structure, C2H5N3S2
carbamothioylthiourea
CAS No.: 541-53-7 Formula: C2H5N3S2 Molecular Weight: 135.21100
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carbamothioylthiourea

CAS No.:

541-53-7

Formula:

C2H5N3S2

Molecular Weight: 135.21100
Suppliers: All (50) China Suppliers (19) Price Available (8) Contractor(0)

Description

Dithiobiuret is an organosulfur compound with the formula HN(C(S)NH2)2. It is a colourless solid that is soluble in warm water and polar organic solvents. It is a planar molecule with short C-S and C-N distances (1.69, 1.38 Å, resp.) indicative of multiple C-S and C-N bonding.
The compound can be viewed as the product from the condensation of two molecules of thiourea, but it is prepared by treatment of 2-cyanoguanidine with hydrogen sulfide. The conversion proceeds via guanylthiourea:
NCNC(NH2) + H2S → HN(C(S)NH2)(C(NH)NH2)
HN(C(S)NH2)(C(NH)NH2) + H2S → HN(C(S)NH2)2
It is used as a plasticizer, a rubber accelerator, and as an intermediate in pesticide manufacturing. It is extremely toxic
exposure can result in respiratory failure.

Basic Info

Chemical Name

carbamothioylthiourea

Synonyms

Thioimidodicarbonic diamide; Imidodicarbonodithioic diamide; Dithioallophanimidic acid; 2,4-dithiobiuret; Imidodicarbonimidothioic diamide; Dithiobiuret; Biuret,dithio; dithiobeulet; Expand

CAS No.

541-53-7

Molecular Formula

C2H5N3S2

Molecular Weight

135.21100

PSA

128.25000

LogP

0.85470

Numbering system

MDL number MFCD00037832

Properties

Density

1.541g/cm3

Boiling Point

272.1ºC at 760mmHg

Melting Point

181-183ºC

Flash Point

118.3ºC

Refractive Index

1.51

Safety Info

RTECS

EC1575000

Hazard Class

6.1

Safety Statements

S22-S28-S36/37-S45

WGK Germany

3

Packing Group

I

RIDADR

UN 2811

Risk Statements

R26/27/28

Hazard Codes

T+

SDS 1.0

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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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name carbamothioylthiourea

1.2 Other means of identification

Product number -
Other names Thioimidodicarbonic diamide

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

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 2

Acute toxicity - Inhalation, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H330 Fatal if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P262 Do not get in eyes, on skin, or on clothing.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P320 Specific treatment is urgent (see ... on this label).

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

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
carbamothioylthiourea carbamothioylthiourea 541-53-7 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

The material is highly toxic. It may cause respiratory failure. (EPA, 1998)

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

Absorption, Distribution and Excretion

URINE WAS MAIN ROUTE OF ELIMINATION OF DITHIOBIURET-DERIVED (14)CARBON AFTER ADMIN TO RATS, & FECES WAS A MINOR ROUTE. ONLY 70-75% OF A DAILY DOSE WAS ELIMINATED IN THE FIRST 24 HR WHEN ADMIN @ RATE OF 0.25, 0.5 & 1 MG/KG/DAY. HIGHEST CONCN FOUND IN THYROID GLAND.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

(Non-Specific -- Dithiocarbamate Pesticide, Solid, n.o.s.) Wear boots, protective gloves, goggles and self-contained breathing apparatus. (Non-Specific -- Dithiocarbamate Pesticide, Solid, n.o.s.) Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use alcohol foam, carbon dioxide or dry chemical. (EPA, 1998)

5.2 Specific hazards arising from the chemical

When heated to decomposition, it emits highly toxic fumes of oxides of sulfur and nitrogen. (EPA, 1998)

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 Dithiobiuret is a crystalline solid. Used as a plasticizer, as a rubber accelerator, and as an intermediate in manufacturing of pesticides. (EPA, 1998)
Colour MONOCLINIC OR TRICLINIC CRYSTALS
Odour no data available
Melting point/ freezing point 181-183ºC
Boiling point or initial boiling point and boiling range 272.1ºC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 118.3ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH SATURATED AQ SOLN @ 30 DEG C: 5.8
Kinematic viscosity no data available
Solubility @ 27 DEG C: 0.27 G/100 ML WATER, 2.2 G/100 G ETHANOL, 16 G/100 G ACETONE, ABOUT 34 G/100 G CELLOSOLVE; IN BOILING WATER= ABOUT 8%; IN 1%SODIUM HYDROXIDE= 3.6 G/100 G; IN 5% SODIUM HYDROXIDE= 16 G/100 G; IN 10% SODIUM HYDROXIDE= 29 G/100 G; SOL IN ALKALIES WITH FORMATION OF WATER-SOLUBLE SALTS.
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.541g/cm3
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

DITHIOBIURET is a thioamide, which may behave as a weak acid in solution and therefore will react with base foeming salts with production of heat. It may react with acids and reducing agents to form toxic hydrogen sulfide gas. This may be vigorous depending on the nature of the reducing agent. Organic amides/imides react with azo and diazo compounds to generate toxic gases. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

DECOMPOSES @ 181 DEG C

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 were located concerning the biodegradation of 2,4-dithiobiuret either in natural systems or in laboratory studies(SRC). Since 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1), biodegradation probably will not be a significant process in the environment(SRC).

12.3 Bioaccumulative potential

Since 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1), bioconcentration in aquatic organisms is not expected to be a significant process(SRC).

12.4 Mobility in soil

Since 2,4-dithiobiuret hydrolyzes relatively rapidly in water(1) and presumably in moist soil(SRC), adsorption to soil is not expected to be a significant process(SRC).

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: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, 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: I IMDG: I IATA: I

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
carbamothioylthiourea carbamothioylthiourea 541-53-7 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) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 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.
1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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541-53-7 NMR spectrum
More
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral LD50 - Lethal dose, 50 percent kill Rodent - rat 5 mg/kg 1.Details of toxic effects not reported other than lethal dose value
Intraperitoneal LD50 - Lethal dose, 50 percent kill Rodent - rat 29 mg/kg 1.Sense Organs and Special Senses (Eye)-chromodacryorrhea
2.Behavioral-changes in motor activity (specific assay)
3.Nutritional and Gross Metabolic-weight loss or decreased weight gain
Intraperitoneal TDLo - Lowest published toxic dose Rodent - rat 7 mg/kg/7D-I 1.Behavioral-altered sleep time (including change in righting reflex)
2.Behavioral-muscle weakness
3.Related to Chronic Data-death
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