ChemicalBook > CAS DataBase List > 3-Iodobenzonitrile

3-Iodobenzonitrile

Product Name
3-Iodobenzonitrile
CAS No.
69113-59-3
Chemical Name
3-Iodobenzonitrile
Synonyms
3-lodobenzonitrile;3-Cyanoiodobenzene;3-IODOBENZONITRILE;M-IODOBENZONITRILE;Benzonitrile, 3-iodo-;1-CYANO-3-IODOBENZENE;3-Cyano-1-iodobenzene;1-Iodo-3-cyanobenzene;3-Iodobenzonitrile>3-Iodobenzonitrile,97%
CBNumber
CB8120041
Molecular Formula
C7H4IN
Formula Weight
229.02
MOL File
69113-59-3.mol
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3-Iodobenzonitrile Property

Melting point:
40-43 °C(lit.)
Boiling point:
260.1±23.0 °C(Predicted)
Density 
1.91±0.1 g/cm3(Predicted)
Flash point:
>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)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
36/37/38-20/21/22
Safety Statements 
36/37/39-26-37/39-24/25
RIDADR 
3439
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
529036
Product name
3-Iodobenzonitrile
Purity
98%
Packaging
1g
Price
$13.4
Updated
2025/07/31
Sigma-Aldrich
Product number
529036
Product name
3-Iodobenzonitrile
Purity
98%
Packaging
10g
Price
$162
Updated
2025/07/31
TCI Chemical
Product number
I0660
Product name
3-Iodobenzonitrile
Purity
>98.0%(GC)
Packaging
5g
Price
$47
Updated
2025/07/31
TCI Chemical
Product number
I0660
Product name
3-Iodobenzonitrile
Purity
>98.0%(GC)
Packaging
25g
Price
$140
Updated
2025/07/31
TRC
Product number
I689568
Product name
3-Iodobenzonitrile
Packaging
1g
Price
$75
Updated
2021/12/16
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3-Iodobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

white to off-white crystals

Uses

suzuki reaction

Uses

3-Iodobenzonitrile may be used as a starting reagent in the synthesis of tetrachloroisophthalo-[14C]-nitrile (TCIN). It may also be used in the preparation of:

  • 1-(3-iodophenyl)-3-{2-[4-(trifluoromethyl)-1-piperidinyl]ethyl}-2-imidazolidinone
  • piperidine derivative
  • chiral amino acid anilide

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.

3-Iodobenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Iodobenzonitrile Suppliers

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View Lastest Price from 3-Iodobenzonitrile manufacturers

Henan Fengda Chemical Co., Ltd
Product
3-Iodobenzonitrile 69113-59-3
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-24
Career Henan Chemical Co
Product
3-Iodobenzonitrile 69113-59-3
Price
US $7.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
JD 789
Release date
2019-09-02

69113-59-3, 3-IodobenzonitrileRelated Search:


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