Back to ChemicalBook Home--->CAS DataBase List--->109-97-7

109-97-7

109-97-7 Structure

109-97-7 Structure
IdentificationMore
[Name]

Pyrrole
[CAS]

109-97-7
[Synonyms]

1H-PYRROLE
AZOLE
DIVINYLENIMINE
FEMA 3386
FEMA NUMBER 3386
IMIDOLE
PYRROLE
1-Aza-2,4-cyclopentadiene
Divinyleneimine
Monopyrrole
Parzate
Pyrrhol
Pyrrol
Pyrroline
PYRROLE PHARMA GRADE
PYRROLE 98+% FCC
Pyrrole,>97%
Pyrrole, extra pure, 99%
PYRROLE,REAGENT
ACETYL PYRROLE, 2-(SG)
[EINECS(EC#)]

203-724-7
[Molecular Formula]

C4H5N
[MDL Number]

MFCD00005216
[Molecular Weight]

67.09
[MOL File]

109-97-7.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to brown liquid with chloroform odour
[mp ]

-23 °C
[bp ]

131 °C(lit.)
[density ]

0.967 g/mL at 25 °C(lit.)
[vapor density ]

2.31 (vs air)
[refractive index ]

n20/D 1.508(lit.)
[FEMA ]

3386
[Fp ]

92 °F
[storage temp. ]

0-6°C
[Stability:]

Stable. Incompatible with strong acids, strong oxidizing agents. Combustible.
[Water Solubility ]

60 g/L (20 ºC)
[Detection Methods]

GC
[Merck ]

14,8014
[Uses]

Manufacture of pharmaceuticals.
[CAS DataBase Reference]

109-97-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyrrole(109-97-7)
[Storage Precautions]

Store under nitrogen;Light sensitive;Air sensitive;Moisture sensitive
[EPA Substance Registry System]

109-97-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
R25:Toxic if swallowed.
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S39:Wear eye/face protection .
S24:Avoid contact with skin .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

2
[RTECS ]

UX9275000
[F ]

8-10-23
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29339900
[Safety Profile]

Poison by ingestion, subcutaneous, and intraperitoneal routes. Flammable liquid when exposed to heat or flame; can react with oxilzing materials. To fight fire, use foam, CO2, dry chemical. Violent reaction with 2-nitrobenzaldehyde. When heated to decomposition it emits highly toxic fumes of NOx.
[Hazardous Substances Data]

109-97-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonia-->Mineral oil-->Furan-->MUCIC ACID-->BONE OIL
[Preparation Products]

Ketorolac-->Zopiclone-->polypyrrole-polyvinyl chloride composite film-->Pyrrole-2-carboxylic acid-->1-(2-PYRROLIDINOETHYL)PIPERAZINE-->2-Acetyl pyrrole-->Saquinavir-->Methyl 4-bromopyrrole-2-carboxylate-->FENPICLONIL-->2,5-Dimethyl-1H-pyrrole-->3-Pyrroline-->Acrivastine-->Glimepiride-->polypyrrole synthesized by electrolytic polymerization-->N-(2-CYANOETHYL)PYRROLE-->PILSICAINIDE-->Zaleplon
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

pyrrole(109-97-7).msds
Hazard InformationBack Directory
[Hazard]

Moderate fire risk. Toxic by ingestion and inhalation.
Questions And AnswerBack Directory
[Heterocyclic compound]

Pyrrole is a five-membered heterocyclic compound which contains one nitrogen atom, it is colorless liquid at room temperature, naturally presents in coal tar and bone oil, turns black color quickly in the air, it has significant irritant odor. The relative density is 0.9691, the boiling point is 130~131℃, freezing point is-24℃. It is almost insoluble in water and dilute alkali solution, soluble in alcohol, ether, benzene and mineral acid solution. It is very stable for alkali, it easily polymerizes into dark red resin trimer in the presence of small amount of inorganic acid, when it is stored, it exposes to light or air will cause resinification. Pyrrole vapor meets loose pieces which moistened with hydrochloric acid can show red, this is called loose piece reaction (pine flakes reaction; pine splint test), it can be used to identify pyrrole. 5 atoms on the pyrrole ring are sp2 hybrid, they are in the same plane, one pair not shared electrons of the nitrogen atom occupy the p-orbital, four carbon atoms and p-orbital are parallel and overlapping, forming 5 atoms, 6 π electrons closed conjugated system, it has aromatic character, prone to electrophilic substitution reactions. Thus, alkalinity of nitrogen atom in pyrrole is small (pKb13.6); On the contrary, combination of hydrogen on the nitrogen atom is weak acid. In addition, pyrrole ring with benzene and other aromatic compounds are same, it can conduct nitration, sulfonation, diazo coupling reaction, Friedel-Crafts type acylation. This reaction can get 2-substituted compound.
Nitrogen atom of pyrrole molecule is sp2 hybridized, unshared electron pair occupys p-orbitals, p-orbitals with parallel 4 sp2 hybridized carbon atoms overlap to form a six-electron conjugated system, it has aromatic character, electrophilic substitution reactions can occur.
Unshared electron pairs of pyrrole nitrogen atoms involve in the conjugated ring system, and binding capacity with H + is very weak, it is not showing alkaline. Since the electron density on the nitrogen atom is relatively lower, the hydrogen atom attached to the nitrogen atom can leave in the form of positive ions, thus pyrrole has faintly acid. Ionization constant Ka = 10-15, it can react with solid potassium hydroxide to form a salt.
Many pyrrole derivatives are important drugs and have strong physiologically active substances, such as chlorophyll, heme.
Pyrrole is basic structural unit of heme, chlorophyll, bile pigments, some amino acids, several alkaloids and some enzymes, these compounds have strong physiological activity and drugs functional. Vitamin B12, glycopyrrolate, kainic acid (drive roundworm medicine), clindamycin (antibiotic) drugs contain hydrogenated pyrrole ring structure. Since 1979, it found that flexible conductive polymer film can be obtained by electrochemical oxidation of pyrrole, the conductivity is 104S/m, and it had good stability.
[Chemical Properties]

It is colorless to yellowish liquid, long-term storage in the process is easy to expose the action of light and the polymerize to turn brown. It has warm sweet fruity of nuts and esters. Boiling point is 130 ℃ (decomposition), a flash point is 39 ℃, a melting point is-24 ℃. It is soluble in alcohol, ether, benzene, acid and most of the non-volatile oil, insoluble in water and dilute alkali.
[Uses]

(1) Spices. The main type use is the preparation of fruit and spice flavors.
(2) It is used for the synthesis of pharmaceuticals and fine chemicals such as perfume
(3) Its derivatives are widely used in organic synthesis, pharmaceuticals, pesticides, spices, rubber vulcanization accelerator, epoxy curing agents of raw materials
(4) It is used as chromatographic analysis standard material, it is also used in organic synthesis and pharmaceutical industry.
(5) It can be used for the pharmaceutical, perfume and other synthetic intermediates.
(6) It is widely used in the synthesis of pharmaceuticals, pesticides and dyes. In the pharmaceutical industry can be used for synthesis of Barossa Star (Irloxacin), meters pyrrole acid (Piromidic), pyrrole pentanone (Pyrovalerone), pyrrole Cain (Pyrrocaine) and set off disease (TMT) and the like.
(7) It can be used to test gold selenite and silicic acid. Determination of chromate, gold, iodine salt, mercury, selenious acid, silicon and vanadium.
[Production methods]

1, furan and ammonia is as raw materials, γ-alumina is as catalyst, the gas-phase catalytic reaction can get it.
2, After total heat fractionation of the bones oil and sulfuric acid, it converts into its potassium salt (C4H4NK), it is washed with ether and treated with water and then dried, fractionation can derive.It can be obtained by pyrolysis of galactose ammonium in glycerol or mineral oil from pyrolysis.
[Hazards & Safety Information]

Category: Flammable liquid
Toxicity grading: Highly toxic
Intraperitoneal acute toxicity-mouse LD50: 98 mg/kg; Oral-rabbit LDL0: 147 mg/kg
Flammability hazard characteristics: it is flammable when in case of fire, heat, oxidants; combustion produces toxic fumes of nitrogen oxides
Storage characteristics: Treasury ventilation low-temperature drying; it should be stored separately with oxidants.
Extinguishing agent: Dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent.
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrrole(109-97-7)1HNMR
Pyrrole(109-97-7)IR1
Pyrrole(109-97-7)13CNMR
Pyrrole(109-97-7)MS
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pyrrole, extra pure, 99%(109-97-7)
[Alfa Aesar]

Pyrrole, 98+%(109-97-7)
[Sigma Aldrich]

109-97-7(sigmaaldrich)
[TCI AMERICA]

Pyrrole,>99.0%(GC)(109-97-7)
109-97-7 suppliers list
Company Name: Jiangsu Qingquan Chemical Co., Ltd.
Tel: +86-571-86589381/86589382/86589383
Fax: lyy@qqpharm.com
Website: www.qqchemical.com
Company Name: Capot Chemical Co.,Ltd.
Tel: +86 (0)571-855 867 18
Fax: +86 (0)571-858 647 95
Website: www.capotchem.com
Company Name: Hubei xin bonus chemical co. LTD
Tel: 13657299721
Fax:
Website: www.chemicalbook.com/ShowSupplierProductsList1549548/0.htm
Company Name: Chongqing Chemdad Co.,Ltd
Tel: +86-19923101450
Fax:
Website: www.chemdad.com
Company Name: Xiamen AmoyChem Co., Ltd
Tel: +86 (0)592-605 1114
Fax:
Website: www.amoychem.com
Company Name: Chemwill Asia Co.,Ltd.
Tel: 86-21-51086038
Fax: 86-21-51861608
Website: www.chemwill.com
Company Name: Haihang Industry Co.,Ltd
Tel: 86-531-88032799
Fax: +86 531 8582 1093
Website: www.haihangindustry.com
Company Name: career henan chemical co
Tel: +86-371-86658258
Fax:
Website: www.coreychem.com
Company Name: NINGBO INNO PHARMCHEM CO., LTD.
Tel: 13867897135
Fax:
Website: www.en.nbinno.com
Company Name: Mainchem Co., Ltd.
Tel: +86-0592-6210733
Fax: +86-0592-6210733
Website: www.mainchem.com
Company Name: Shanghai Macklin Biochemical Co.,Ltd.  Gold
Tel:15221275939
Fax:021-51821727
Website:www.macklin.cn
Company Name: Jiangsu Qingquan Chemical Co., Ltd.  Gold
Tel:+86-571-86589381
Fax:+86-571-86589380
Website:www.qqpharm.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  Gold
Tel:021-20337333/400-620-6333
Fax:021-50323701
Website:www.aladdin-e.com
Company Name: J & K SCIENTIFIC LTD.  
Tel:400-666-7788 +86-10-82848833
Fax:+86-10-82849933
Website:www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Tel:+86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-62670440(Beijing)
Fax:+86-(0)21-61259102(Shanghai) +86-(0)755-86170066(ShenZhen) +86-(0)10-88580358(Beijing)
Website:www.meryer.com
Company Name: Alfa Aesar  
Tel:400-610-6006; 021-67582000
Fax:021-67582001/03/05
Website:www.alfachina.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Tel:021-67121386 / 800-988-0390
Fax:021-67121385
Website:www.tcichemicals.com
Company Name: ShangHai DEMO Chemical Co.,Ltd  
Tel:400-021-7337 qq:2355568890
Fax:0086-21-50182339
Website:www.demochem.com
Tags:109-97-7 Related Product Information
98-79-3 35543-24-9 134523-03-8 7570-45-8 6825-20-3 244-63-3 304-21-2 23249-97-0 86-79-3 1150-62-5 132-32-1 486-84-0 442-51-3 86-74-8 16502-01-5 88-12-0 123-75-1 25655-41-8