ChemicalBook--->CAS DataBase List--->4387-36-4

4387-36-4

4387-36-4 Structure

4387-36-4 Structure
IdentificationMore
[Name]

2-Iodobenzonitrile
[CAS]

4387-36-4
[Synonyms]

1-CYANO-2-IODOBENZENE
2-IODOBENZONITRILE
O-IODOBENZONITRILE
2-iodobenzontirlle
[Molecular Formula]

C7H4IN
[MDL Number]

MFCD00079761
[Molecular Weight]

229.02
[MOL File]

4387-36-4.mol
Chemical PropertiesBack Directory
[Appearance]

Yellow solid
[Melting point ]

52-54°C
[Boiling point ]

147 °C / 15mmHg
[density ]

1.91±0.1 g/cm3(Predicted)
[Fp ]

110 °C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Solid
[color ]

Yellow
[InChI]

InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
[InChIKey]

JDDAFHUEOVUDFJ-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=CC=C1I
[CAS DataBase Reference]

4387-36-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[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 .
R36:Irritating to the eyes.
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

IRRITANT-HARMFUL
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

Yellow solid
[Uses]

suzuki reaction
[Synthesis]

2-IODOBENZAMIDE

3930-83-4

2-Iodobenzonitrile

4387-36-4

GENERAL STEPS: A THF solution (2 mL) of 2-iodobenzamide (1.0 mmol) and triethoxysilane (0.50 g, 3.0 mmol) was added to a 25 mL Schlenk tube. The reaction mixture was stirred continuously at 60 °C until complete consumption of 2-iodobenzamide was confirmed by thin layer chromatography (TLC) and gas chromatography-mass spectrometry (GC-MS). Upon completion of the reaction, 2-iodocyanobenzene was purified according to the method reported by Beller literature.

[References]

[1] Tetrahedron Letters, 1986, vol. 27, # 20, p. 2203 - 2206
[2] Catalysis Communications, 2019, p. 72 - 75
[3] Catalysis Communications, 2016, vol. 86, p. 148 - 150
[4] Dalton Transactions, 2018, vol. 47, # 12, p. 4352 - 4359
[5] Journal of Organic Chemistry, 1965, vol. 30, p. 617 - 620
Spectrum DetailBack Directory
[Spectrum Detail]

2-Iodobenzonitrile(4387-36-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Iodobenzonitrile,99%(4387-36-4)
[Sigma Aldrich]

4387-36-4(sigmaaldrich)
[TCI AMERICA]

2-Iodobenzonitrile,>98.0%(GC)(4387-36-4)
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