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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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

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69113-59-3

C7H4NI

Organic Building Blocks

Nitrogen Compounds

Cyanides/Nitriles

C6 to C7

Building Blocks

C6 to C7

Chemical Synthesis

Nitrogen Compounds

Organic Building Blocks

Aromatic Nitriles

Nitrile

Iodine Compounds

Nitriles

C6 to C7

Cyanides/Nitriles

Nitrogen Compounds