ChemicalBook--->CAS DataBase List--->31909-58-7

31909-58-7

31909-58-7 Structure

31909-58-7 Structure
IdentificationMore
[Name]

2-FUROYLACETONITRILE
[CAS]

31909-58-7
[Synonyms]

2-FUROYLACETONITRILE
3-(2-FURYL)-3-OXOPROPANENITRILE
3-(FURAN-2-YL)-3-OXOPROPANENITRILE
BUTTPARK 82\12-56
SALOR-INT L132853-1EA
3-Fur-2-yl-3-oxopropanenitrile
2-Furoylacetonitrile,97%
[Molecular Formula]

C7H5NO2
[MDL Number]

MFCD00052210
[Molecular Weight]

135.12
[MOL File]

31909-58-7.mol
Chemical PropertiesBack Directory
[Appearance]

beige to light brown powder
[Melting point ]

81-85 °C (lit.)
[Boiling point ]

248.79°C (rough estimate)
[density ]

1.3124 (rough estimate)
[refractive index ]

1.5800 (estimate)
[storage temp. ]

Storage temp. -20°C
[form ]

Powder
[pka]

7.12±0.10(Predicted)
[color ]

Beige to light brown
[BRN ]

111902
[InChI]

1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
[InChIKey]

RZNSHBXVTAHWPP-UHFFFAOYSA-N
[SMILES]

O=C(CC#N)c1ccco1
[CAS DataBase Reference]

31909-58-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29321900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Silane, [[1-(2-furanyl)ethenyl]oxy]trimethyl--->1-(2-Furoyl)-1H-benzotriazole 97-->2-Bromo-1-(2-furyl)-1-ethanone-->N-Methoxy-N-methyl-2-furamide-->4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione-->alpha-Oxo-2-furanacetonitrile-->4-(2-Furyl)benzaldehyde-->Methyl 2-furoate-->Furfuryl alcohol-->Trimethylsilyl cyanide-->Tosyl cyanide-->Acetonitrile
[Preparation Products]

3-(2-Furyl)-1H-pyrazol-5-amine
Hazard InformationBack Directory
[Chemical Properties]

beige to light brown powder
[Uses]

2-Furoylacetonitrile is used in the synthesis of compounds that display anti-Trypanosoma cruzi activity. This is primarily for combating Chagas disease.
[Uses]

β-oxo-2-Furanpropanenitrile is used in the synthesis of compounds that display anti-Trypanosoma cruzi activity. This is primarily for combating Chagas disease.
Spectrum DetailBack Directory
[Spectrum Detail]

2-FUROYLACETONITRILE(31909-58-7)MS
2-FUROYLACETONITRILE(31909-58-7)1HNMR
2-FUROYLACETONITRILE(31909-58-7)13CNMR
2-FUROYLACETONITRILE(31909-58-7)IR1
2-FUROYLACETONITRILE(31909-58-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Furoylacetonitrile, 99%(31909-58-7)
[Alfa Aesar]

2-Furoylacetonitrile, 97%(31909-58-7)
[Sigma Aldrich]

31909-58-7(sigmaaldrich)
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