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Furan

Furan structure

CAS No:
110-00-9
Formula:
C4H4O
Chemical Name:
Furan
Synonyms:
Furan;Divinylene oxide;Oxole;Tetrole;Furfuran;Oxacyclopentadiene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

CLEAR COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. TURNS BROWN ON STANDING.

Furan is a heterocyclic organic compound, consisting of a five-membered aromatic ring with four carbon atoms and one oxygen. The class of compounds containing such rings are also referred to as furans.

Furan Basic Attributes

Molecular Weight：

68.075

Exact Mass：

68.07

EC Number：

203-727-3

HScode：

2932999060

Characteristics

PSA：

13.1

XLogP3：

1.34

Appearance：

Furan appears as a clear colorless liquid with a strong odor. Flash point below 32°F. Less dense than water and insoluble in water. Vapors heavier than air.

Density：

0.9371 g/cm³ @ Temp: 19.4 °C

Melting Point：

-85.6 °C

Boiling Point：

31.36 °C @ Press: 760 Torr

Flash Point：

-35°C

Refractive Index：

1.427

Water Solubility：

H2O: insoluble

Storage Conditions：

Containers for furan should be able to withstand the vapor pressure exerted during storage under variable climatic conditions. Furan should be stored in a cool place where the drums will not be heated.

Vapor Pressure：

Vapour pressure, kPa at 20°C: 65.8

Vapor Density：

Relative vapour density (air = 1): 2.3

Flammability characteristics：

Lower 2.3%, upper 14.3% (% by vol)

Explosive limit：

vol% in air: 2.34.3

Odor：

Ethereal

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

R12;R19;R20/22;R38;R45;R48/22;R52/53;R68

safety instructions：

S53-S45-S61

RTECS Number：

LT8524000

Marks：

T:Toxic

Storage features：

Fireproof. Well closed. Cool. Keep in the dark. Store only if stabilized. Separated from strong oxidants and acids. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.

Stability/Shelf Life：

Stable. Substances to be avoided include strong oxidising agents, acids, peroxides and oxygen. Highly flammable; can form explosive mixtures with air.

Precautionary statement(s)：

P201-P210-P273-P281-P308 + P313

Hazard Statements：

H224-H302 + H332-H315-H341-H350-H373-H412

RIDADR：

UN 2389

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
OTHER MULTIPLE DOSE TOXICITY DATA	TDLo - Lowest published toxic dose	Oral	Rodent - rat	240 mg/kg/16D-I	Liver--other changes Nutritional and Gross Metabolic--weight loss or decreased weight gain	National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-402,1993
OTHER MULTIPLE DOSE TOXICITY DATA	TDLo - Lowest published toxic dose	Oral	Rodent - rat	3900 mg/kg/13W-I	Liver--hepatitis (hepatocellular necrosis), zonal Kidney, Ureter, Bladder--changes in tubules (including acute renal failure, acute tubular necrosis) Endocrine--changes in thymus weight	National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-402,1993
OTHER MULTIPLE DOSE TOXICITY DATA	TCLo - Lowest published toxic concentration	Inhalation	Rodent - rat	200 mg/m3/4H/60D-I	Lungs, Thorax, or Respiration--structural or functional change in trachea or bronchi Liver--other changes Related to Chronic Data--death	Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 9,106,1967

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	SPB-1	500.	100.	isothermal	60. m/0.32 mm/0.25 μm	Misharina, T.A.Beletsky, I.V.Golovnya, R.V.Chromatographic and IR characteristics of methyl-, formyl-, and acetyl-substituted furans and thiophenesRuss. Chem. Bull. (Engl. Transl.)1994, 43, 1, 64-69.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	498.	100.	isothermal	Gaschrom Q; Column length: 2. m	Winskowski, J.Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen DetektorenChromatographia1983, 17, 3, 160-165.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	483.	120.	isothermal	Celite 545	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	492.	160.	isothermal	Celite 545	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	485.	80.	isothermal	He, Chromosorb P; Column length: 6. m	Viani, R.Müggler-Chavan, F.Reymond, D.Egli, R.H.196. Sur la composition de l'arôme de caféHelv. Chim. Acta1965, 48, 195-196, 1809-1815.

Computed Properties

Molecular Weight:68.07
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Exact Mass:68.026214747
Monoisotopic Mass:68.026214747
Topological Polar Surface Area:13.1
Heavy Atom Count:5
Complexity:22.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

Related Drugs

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Specifications	Compound (sugar-coated)

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CAS No.: 110-00-9

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