| Identification | More | [Name]
3-Iodobenzonitrile | [CAS]
69113-59-3 | [Synonyms]
1-CYANO-3-IODOBENZENE
3-IODOBENZONITRILE
M-IODOBENZONITRILE
3-Cyanoiodobenzene
3-Iodobenzonitrile 98%
1-Iodo-3-cyanobenzene
3-Cyano-1-iodobenzene | [Molecular Formula]
C7H4IN | [MDL Number]
MFCD00079762 | [Molecular Weight]
229.02 | [MOL File]
69113-59-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white crystals | [Melting point ]
40-43 °C(lit.)
| [Boiling point ]
260.1±23.0 °C(Predicted) | [density ]
1.91±0.1 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Light yellow to Dark green | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H | [InChIKey]
BGARPMGQRREXLN-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC(I)=C1 | [CAS DataBase Reference]
69113-59-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
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 . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white crystals | [Uses]
suzuki reaction | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 55, p. 3552, 1990 DOI: 10.1021/jo00298a032 | [General Description]
3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry. |
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