66104-23-2 structure, C20H30N2O3S2

pergolide mesylate

CAS No.

66104-23-2

Formula:

C20H30N2O3S2

Basic Info

A dopaminergic agonist that also decrease plasma prolactin concentrations. An antiparkinsonian agent.

Formula
C20H30N2O3S2
Molecular Weight
410.594
Exact Mass
410.17
LogP
4.7938
PSA
107.08
Synonyms

Ergoline

(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline,methanesulfonic acid

Pergolide Mesylate

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Properties

Appearance & Physical State
White to Off-White Solid
Boiling Point
491.3ºC at 760 mmHg
Melting Point
252-254ºC
Flash Point
250.9ºC
Storage Condition
-20ºC

Safety Info

RTECS
KE6345000
Safety Statements
S28-S36/37-S45
Risk Statements
R28
RIDADR
UN 1544
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 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name pergolide mesylate

1.2 Other means of identification

Product number -
Other names Pergolide Mesylate

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

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
pergolide mesylate pergolide mesylate 66104-23-2 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 White to Off-White Solid
Colour no data available
Odour no data available
Melting point/ freezing point 252-254ºC
Boiling point or initial boiling point and boiling range 491.3ºC at 760 mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 250.9ºC
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: UN1544 IMDG: UN1544 IATA: UN1544

14.2 UN Proper Shipping Name

ADR/RID: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.
IMDG: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.
IATA: ALKALOIDS, SOLID, N.O.S. or ALKALOID SALTS, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: unknown IMDG: unknown IATA: unknown

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

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
pergolide mesylate pergolide mesylate 66104-23-2 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Not Listed.
EC Inventory Not Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not 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 15, 2017
Revision Date Aug 15, 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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Section 1. Chemical Product and Company Identification
    Pergolide Mesylate
    Common Name/
    Trade Name
    Pergolide Mesylate

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Cold water may be used. Get medical attention.
    In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated
    Skin Contact
    clothing and shoes. Cover the irritated skin with an emollient. Cold water may be used.Wash clothing before reuse.
    Thoroughly clean shoes before reuse. Get medical attention immediately.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate    
    medical attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention immediately.
    Serious Inhalation        Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or waistband.    
    WARNING: It may be hazardous to the person providing aid to give mouth-to-mouth resuscitation when the inhaled
    material is toxic, infectious or corrosive. Seek immediate medical attention.
    If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to
    Ingestion
    an unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention
    immediately.
    Not available.
    Serious Ingestion

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Not available.
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), sulfur oxides (SO2, SO3...).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Non-flammable in presence of shocks.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Slightly explosive in presence of open flames and sparks.
    Presence of Various
    Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    As with most organic solids, fire is possible at elevated temperatures
    Special Remarks on
    Fire Hazards
    Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a potential dust
    Special Remarks on
    explosion hazard.
    Explosion Hazards

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container.
    Small Spill
    Poisonous solid.
    Large Spill
    Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray to reduce
    for assistance on disposal.
    Pergolide Mesylate

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    ingest. Do not breathe dust. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable
    respiratory equipment. If ingested, seek medical advice immediately and show the container or the label. Avoid
    contact with skin and eyes.
    Keep container tightly closed. Keep container in a cool, well-ventilated area. Sensitive to light. Store in
    Storage
    light-resistant containers.

Section 8. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    Engineering Controls
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    of a Large Spill
    handling this product.
    Not available.
    Exposure Limits

Section 9. Physical and Chemical Properties
    Solid.        Perceptible odor (Slight.)    
    Physical state and        O dor    
    appearance
    Not available.
    Taste
    410.64 g/mole
    Molecular Weight
    White.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    Decomposition temperature: 225°C (437°F)
    Melting Point
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Not available.
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    See solubility in water.
    Dispersion Properties
    Very slightly soluble in cold water.
    Solubility
    Soluble in most organic substances
    Pergolide Mesylate

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, dust generation, incompatible materials
    Incompatibility with various Not available.
    substances
    Not available.
    Corrosivity
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Inhalation. Ingestion.
    Routes of Entry
    Toxicity to Animals        Acute oral toxicity (LD50): 8.4 mg/kg [Rat].    
    Chronic Effects on Humans May cause damage to the following organs: cardiovascular system, central nervous system (CNS).
    Very hazardous in case of ingestion, .
    Other Toxic Effects on
    Humans        Hazardous in case of skin contact (irritant), of inhalation (lung irritant).    
    Not available.
    Special Remarks on
    Toxicity to Animals
    May cause adverse reproductive effects and birth defects (teratogenic)
    Special Remarks on
    Chronic Effects on Humans
    Acute Potential Health Effects:
    Special Remarks on other
    Skin: Causes skin irritation.
    Toxic Effects on Humans
    Eyes: Causes eye irritation.
    Inhalation: Harmful if inhaled. Causes respiratory tract irritation.
    Ingestion: May be fatal if swallowed. Causes gastrointestinal tract irritation with nausea, and vomiting. May also
    affect behavior/central nervous system (temor, excitement, hallucinations, aggression, convulsions), metabolsim, and
    respiratory system (respiratory stimulation), cardiovascular system, eyes (ptosis, pupillary dilation).
    Chronic Potential Health Effects:
    Ingestion: Repeated or prolonged ingestion may also affect behavior/central nervous system), blood (red and white
    blood cell count), metabolism (weight loss), prostate, ovaries (changes in prostate and ovarian weight).

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    The products of degradation are less toxic than the product itself.
    Toxicity of the Products
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation
    Pergolide Mesylate

Section 13. Disposal Considerations
    Waste must be disposed of in accordance with federal, state and local environmental control
    Waste Disposal
    regulations.

Section 14. Transport Information
    CLASS 6.1: Poisonous material.
    DO T Cl assi fi cati on
    UNNA: 2811 : Toxic Solid, Organic, n.o.s. (Pergolide Mesylate) PG: II
    Identification
    Not available.
    Special Provisions for
    Transport
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    EINECS: This product is not on the European Inventory of Existing Commercial Chemical Substances.
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non- Domestic Substance List (NDSL).
    China: Not listed on National Inventory.
    Japan: Not listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Not listed on AICS.
    WHMIS (Canada) It has not been classified by the Service du repertoire toxicologique. However, it may fall
    Other Classifications
    into the CLASS D-1A: Material causing immediate and serious toxic effects (VERY TOXIC).
    R26/27/28- Very toxic by inhalation, in        S22- Do not breathe dust.    
    DSCL (EEC)
    contact with skin and if swallowed.        S26- In case of contact with eyes, rinse    
    R36/37/38- Irritating to eyes, respiratory        immediately with plenty of water and seek    
    system and skin.        medical advice.    
    R40- Limited evidence of a        S36/37/39- Wear suitable protective clothing,    
    carcinogenic effect.        gloves and eye/face protection.    
    R60- May impair fertility.        S38- In case of insufficient ventilation, wear    
    R63- Possible risk of harm to the unborn        suitable respiratory equipment.    
    child.        S45- In case of accident or if you feel unwell,    
    seek medical advice immediately (show the
    label where possible).
    HMIS (U.S.A.)        Health Hazard        3 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    3 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    Pergolide Mesylate
    DSCL (Europe)
    (Pictograms)
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Related Compound Information