51-52-5 structure, C7H10N2OS
6-propyl-2-thiouracil
CAS No.: 51-52-5 Formula: C7H10N2OS Molecular Weight: 170.23200
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6-propyl-2-thiouracil

CAS No.:

51-52-5

Formula:

C7H10N2OS

Molecular Weight: 170.23200
Suppliers: All (175) China Suppliers (105) Price Available (42) Contractor (4)

Description

Propylthiouracil (PTU) or 6-n-propylthiouracil (PROP) is a thiouracil-derived drug used to treat hyperthyroidism (including Graves' disease) by decreasing the amount of thyroid hormone produced by the thyroid gland. Its notable side effects include a risk of agranulocytosis and aplastic anemia.
On 3 June 2009, the FDA published an alert "notifying healthcare professionals of the risk of serious liver injury, including liver failure and death, with the use of propylthiouracil." As a result, propylthiouracil is no longer recommended in non-pregnant adults and in children as the front line antithyroid medication.
It is on the World Health Organization's List of Essential Medicines, a list of the most important medication needed in a basic health system.

Numbering system

MDL number MFCD00006041

Properties

Appearance & Physical State

white to off-white crystalline powder

Density

1.24g/cm3

Boiling Point

355.2ºC at 760mmHg

Melting Point

218-221ºC

Flash Point

326ºC

Refractive Index

1.609

Water Solubility

1.1 g/L

Stability

Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, strong bases. Light sensitive.

Storage Condition

Store in a cool, dry place. Keep container closed when not in use. Hormones and antibiotics room.

Safety Info

RTECS

YR1400000

Safety Statements

S36/37-S45

HS Code

2933599090

WGK Germany

3

Risk Statements

R22; R40

Hazard Codes

Xn

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 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-propyl-2-thiouracil

1.2 Other means of identification

Product number -
Other names 4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-

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 4

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

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
6-propyl-2-thiouracil 6-propyl-2-thiouracil 51-52-5 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

SYMPTOMS: Symptoms of exposure to this compound include recurrent painful skin lesions, fatigue, migratory polyanthralgias of hands and knees, palpable spleen, splenomegaly, amenorrhea, low-grade fever, gingivostomatitis, weakness, weight loss, dark red-brown colored urine, necrotizing vasculitis, leukopenia, cutaneous vasculitis, nasal congestion, enlarged thyroid, necrotic ulcerations on the lower extremities, bloody nasal discharge and cough. Other symptoms include fever, sore throat, rash and malaise. The most serious reaction to this chemical may be agranulocytosis. It may also cause pain and stiffness in the joints, paresthesias, headache, nausea and loss or depigmentation of hair. On rare occasions, exposure to this material may cause drug fever, hepatitis and nephritis. Other symptoms include urticaria, anorexia, hypoprothrombinemia with purpura and hepatic injury. Exposure may also cause a tendency to hemorrhage, lupus-like syndrome, hypothyroidism, galactorrhea, migratory polyarthritis, reversible tinnitus, hearing loss, hypocalcemia, jaundice, hepatic necrosis and liver disease similar to chronic active hepatitis. It may also cause goiter in infants born to women following exposure to this compound. ACUTE/CHRONIC HAZARDS: It is harmful if swallowed, inhaled or absorbed through the skin. It may cause irritation. When heated to decomposition, this compound emits very toxic fumes of SOx and NOx. It may also emit toxic fumes of carbon monoxide and carbon dioxide.

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

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available; however it is probably combustible.

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

PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/

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

Commercially available propylthiouracil tablets should be stored in well-closed containers at a temperature less than 40°C, preferably between 15-30°C.

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 white to off-white crystalline powder
Colour White crystalline powder of starch-like appearance to eye and to touch
Odour no data available
Melting point/ freezing point 218-221ºC
Boiling point or initial boiling point and boiling range 355.2ºC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 326ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH Saturated aq soln is neutral or slightly acid to litmus
Kinematic viscosity no data available
Solubility In water:1.1 g/L
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 6.9X10-8 mm Hg at 25°C (est)
Density and/or relative density 1.24g/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

SENSITIVE TO LIGHT

10.3 Possibility of hazardous reactions

6-N-PROPYL-2-THIOURACIL is incompatible with strong oxidizing agents, strong acids and strong bases. Forms complexes with divalent metals. Reacts with sulfhydryl-oxidizing agents . When reduced will produce hydrogen sulfide.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Forms complexes with metals and reacts with sulfhydryl-oxidizing agents

10.6 Hazardous decomposition products

When heated to decomposition /temperature unspecified/, propylthiouracil emits toxic fumes of nitrogen oxide and sulfur oxide.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 1980 mg/kg
  • 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

Evaluation: There is inadequate evidence in humans for the carcinogenicity of propylthiouracil. There is sufficient evidence in experimental animals for the carcinogenicity of propylthiouracil. Overall evaluation: Propylthiouracil is possibly carcinogenic to humans (Group 2B).

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

AEROBIC: Propyl thiouracil, present at 100 mg/L, reached 0% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L and the Japanese MITI test(1).

12.3 Bioaccumulative potential

A range of BCF values of <2 to <4 were measured for propyl thiouracil at 0.2 mg/L using carp over a 28 day exposure period(1). According to a classification scheme(2), these BCF values suggest bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for propyl thiouracil can be estimated to be 23(SRC). According to a classification scheme(2), this estimated Koc value suggests that propyl thiouracil is expected to have very high mobility in soil(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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
6-propyl-2-thiouracil 6-propyl-2-thiouracil 51-52-5 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 Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 13, 2017
Revision Date Aug 13, 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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1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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51-52-5 NMR spectrum
More
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Oral TDLo - Lowest published toxic dose Human - man 42857 ug/kg/10D-I 1.Kidney, Ureter, Bladder-changes in tubules (including acute renal failure, acute tubular necrosis)
2.Kidney, Ureter, Bladder-interstitial nephritis
3.Kidney, Ureter, Bladder-urine volume decreased
Oral LDLo - Lowest published lethal dose Human - woman 480 mg/kg/9W-I 1.Vascular-other changes
2.Blood-agranulocytosis
Oral TDLo - Lowest published toxic dose Human - child 900 mg/kg/60D-I 1.Liver-hepatitis (hepatocellular necrosis), diffuse
2.Liver-jaundice, other or unclassified
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