109-97-7 structure, C4H5N
1H-pyrrole
CAS No.: 109-97-7 Formula: C4H5N Molecular Weight: 67.08920
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1H-pyrrole

CAS No.:

109-97-7

Formula:

C4H5N

Molecular Weight: 67.08920
Suppliers: All (68) China Suppliers (68) Price Available (9) Contractor (5)

Description

Pyrrole is a heterocyclic aromatic organic compound, a five-membered ring with the formula C4H4NH. It is a colorless volatile liquid that darkens readily upon exposure to air. Substituted derivatives are also called pyrroles, e.g., N-methylpyrrole, C4H4NCH3. Porphobilinogen, a trisubstituted pyrrole, is the biosynthetic precursor to many natural products such as heme.
Pyrroles are components of more complex macrocycles, including the porphyrins of heme, the chlorins, bacteriochlorins, chlorophyll, and porphyrinogens.

Basic Info

Chemical Name

1H-pyrrole

Synonyms

Monopyrrole; Parzate; Divinylenimine; Pyrroline; 1H-Pyrrole; Pyrrol; FEMA 3386; Pyrrole; Pyrrhol; AZOLE; Azole,Divinylenimine,Imidole; IMIDOLE; Expand

CAS No.

109-97-7

Molecular Formula

C4H5N

Molecular Weight

67.08920

PSA

15.79000

LogP

1.01470

Numbering system

BRN number 1159
PubChem number 24901681
EINECS number 203-724-7
MDL number MFCD00005216
RTECS number UX9275000

Properties

Appearance & Physical State

colourless to brown liquid with chloroform odour

Density

0.967

Boiling Point

129-131ºC

Melting Point

-23ºC

Flash Point

36ºC

Refractive Index

1.508-1.51

Water Solubility

60 g/L (20 ºC)

Stability

Stable. Incompatible with strong acids, strong oxidizing agents. Combustible.

Storage Condition

0-6ºC

Vapor Density

2.31 (vs air)

Safety Info

RTECS

UX9275000

Hazard Class

3

Safety Statements

S16-S24-S26-S39-S45

HS Code

2933990090

WGK Germany

2

Packing Group

III

RIDADR

UN 1993

Risk Statements

R10; R20; R25; R41

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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1H-pyrrole

1.2 Other means of identification

Product number -
Other names Monopyrrole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

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
1H-pyrrole 1H-pyrrole 109-97-7 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

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

FOAM, CARBON DIOXIDE, DRY CHEMICAL.

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 colourless to brown liquid with chloroform odour
Colour Colorless liquid when fresh
Odour Agreeable empyreumatic odor resembling that of chloroform
Melting point/ freezing point -23°C(lit.)
Boiling point or initial boiling point and boiling range 130°C
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 39°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 4.1123X10-3 Pa.s @ 249.74K
Solubility In water:60 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.75
Vapour pressure 8.35 mm Hg @ 25 dec C
Density and/or relative density 0.967
Relative vapour density 2.31 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

DARKENS ON STANDING WITH EXPOSURE TO AIR.

10.3 Possibility of hazardous reactions

Flammable liquid when exposed to heat or flame ...

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... CAN REACT WITH OXIDIZING MATERIALS.

10.6 Hazardous decomposition products

WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF NITROXIDES.

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

AEROBIC: Pyrrole was not degraded in a mixture of compounds in water after 1100-1300 hrs at 10°C and at a concentration of 0.2-1 mg/l. Experiments have shown that pyrrole is actually degraded by gasoline-adapted ground water cultures when present as a single substrate. Adaption time was 480 hrs and degradation time was 600 hrs. Pyrrole inhibits benzene biodegradation strongly even at pyrrole concentrations of 100-200 ug/l(1). Degradation of pyrrole seems to be enhanced with the concomitant degradation of other compounds in an aqueous environment. No degradation of pyrrole was observed under denitrifying conditions during 846 days of incubation(2). In an aerobic enrichment culture that originated from groundwater at a creosote-contaminated aquifer in Fredensbury Denmark, pyrrole was completely removed after 49 days. It is suggested that microorganisms have to adapt to pyrrole before they can begin to degrade it and that the lag phase can be very long(3).

12.3 Bioaccumulative potential

An estimated BCF of 2 was calculated for pyrrole(SRC), using a log Kow of 0.75(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

12.4 Mobility in soil

The Koc of pyrrole is estimated as approximately 61(SRC), using a log Kow of 0.75(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyrrole is expected to have high mobility in soil.

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: UN1992 IMDG: UN1992 IATA: UN1992

14.2 UN Proper Shipping Name

ADR/RID: FLAMMABLE LIQUID, TOXIC, N.O.S.
IMDG: FLAMMABLE LIQUID, TOXIC, N.O.S.
IATA: FLAMMABLE LIQUID, TOXIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

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
1H-pyrrole 1H-pyrrole 109-97-7 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 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) Listed.

16.Other information

Information on revision

Creation Date Aug 10, 2017
Revision Date Aug 10, 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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109-97-7 NMR spectrum
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