529036
3-Iodobenzonitrile
98%
Manufacturer: Sigma Aldrich
CAS Number: 69113-59-3
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 1 G | 529036-1-G | In Stock | ₹ 2,771.20 |
| 10 G | 529036-10-G | In Stock | ₹ 14,527.15 |
529036 - 1 G
In Stock
Quantity
1
Base Price: ₹ 2,771.20
GST (18%): ₹ 498.816
Total Price: ₹ 3,270.016
Quality Level
100
Assay
98%
mp
40-43 °C (lit.)
SMILES string
Ic1cccc(c1)C#N
InChI
1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI key
BGARPMGQRREXLN-UHFFFAOYSA-N
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 3-Iodobenzonitrile | Aaron Chemicals LLC | ₹ 356.00 - ₹ 25,632.00 | |
 | 3-Iodobenzonitrile | ChemScene | ₹ 890.00 - ₹ 42,809.00 |
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Description
- General description: 3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry.[1]
- Application: 3-Iodobenzonitrile may be used as a starting reagent in the synthesis of tetrachloroisophthalo-[14C]-nitrile (TCIN).[2] It may also be used in the preparation of:1-(3-iodophenyl)-3-{2-[4-(trifluoromethyl)-1-piperidinyl]ethyl}-2-imidazolidinone[3]piperidine derivative[4]chiral amino acid anilide[5]
SAFETY INFORMATION
WGK
WGK 3
Flash Point(F)
230.0 °F
Flash Point(C)
110 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 98%
mp: 40-43 °C (lit.)
SMILES string: Ic1cccc(c1)C#N
InChI: 1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI key: BGARPMGQRREXLN-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
mp:
40-43 °C (lit.)
SMILES string:
Ic1cccc(c1)C#N
InChI:
1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI key:
BGARPMGQRREXLN-UHFFFAOYSA-N
Quality Level: 100
Assay: ≥99.0% (GC)
mp: __
SMILES string: CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI: 1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
InChI key: __
Quality Level:
100
Assay:
≥99.0% (GC)
mp:
__
SMILES string:
CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI:
1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
InChI key:
__
Quality Level: 100
Assay: ≥99.0% (GC)
mp: __
SMILES string: CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI: 1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
InChI key: __
Quality Level:
100
Assay:
≥99.0% (GC)
mp:
__
SMILES string:
CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
InChI:
1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3
InChI key:
__
Quality Level: 100
Assay: ≥98.0% (GC)
mp: 86-91 °C
SMILES string: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI: 1S/C46H94/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
InChI key: __
Quality Level:
100
Assay:
≥98.0% (GC)
mp:
86-91 °C
SMILES string:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI:
1S/C46H94/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
InChI key:
__