2-Iodobenzotrifluoride, 99%, Thermo Scientific™

Product Code	Brand	Quantity	Packaging
10018501	Thermo Scientific Acros 241980050	5 mL	Glass bottle
10388460	Thermo Scientific Acros 241980250	25 mL	Glass bottle
10570014	Thermo Scientific Acros 241981000	100 mL	Glass bottle

Chemical Identifiers

• CAS: 444-29-1
• Molecular Weight (g/mol): 272.01
• InChI Key: IGZGUYVVBABKOY-UHFFFAOYSA-N
• PubChem CID: 67957
• SMILES: C1=CC=C(C(=C1)C(F)(F)F)I

• Molecular Formula: C₇H₄F₃I
• MDL Number: MFCD00001041
• Synonym: 2-iodobenzotrifluoride, 1-iodo-2-trifluoromethyl benzene, o-iodobenzotrifluoride, benzene, 1-iodo-2-trifluoromethyl, 2-iodobenztrifluoride, o-trifluoromethyliodobenzene, 2-iodo-alpha,alpha,alpha-trifluorotoluene, iodobenzotrifluoride, 2-iodo-a,a,a-trifluorotoluene, 2-iodobenzotrifloride
• IUPAC Name: 1-iodo-2-(trifluoromethyl)benzene

Specifications

• CAS: 444-29-1
• CAS Max %: 100.0
• Density: 1.8900g/mL
• Flash Point: 81°C
• Assay Percent Range: 98.5% min. (GC)
• Linear Formula: CF₃(C₆H₄)I
• MDL Number: MFCD00001041
• Specific Gravity: 1.89
• Solubility Information: Solubility in water: insoluble. Other solubilities: soluble in most common organic solvents
• SMILES: C1=CC=C(C(=C1)C(F)(F)F)I
• Molecular Weight (g/mol): 272.01
• Formula Weight: 272.01
• Physical Form: Liquid

• CAS Min %: 98.5
• Color: Yellow
• Boiling Point: 197.0°C to 198.0°C
• Infrared Spectrum: Authentic
• Molecular Formula: C₇H₄F₃I
• Refractive Index: 1.5290 to 1.5310
• Beilstein: 05, III, 725
• Synonym: 2-iodobenzotrifluoride, 1-iodo-2-trifluoromethyl benzene, o-iodobenzotrifluoride, benzene, 1-iodo-2-trifluoromethyl, 2-iodobenztrifluoride, o-trifluoromethyliodobenzene, 2-iodo-alpha,alpha,alpha-trifluorotoluene, iodobenzotrifluoride, 2-iodo-a,a,a-trifluorotoluene, 2-iodobenzotrifloride
• InChI Key: IGZGUYVVBABKOY-UHFFFAOYSA-N
• IUPAC Name: 1-iodo-2-(trifluoromethyl)benzene
• PubChem CID: 67957
• Percent Purity: 99%
• Chemical Name or Material: 2-Iodobenzotrifluoride

Safety and Handling

GHS H Statement:
Causes serious eye irritation.
May cause respiratory irritation.
Causes skin irritation.

GHS P Statement:
Avoid breathing dust/fume/gas/mist/vapors/spray.
IF ON SKIN: Wash with plenty of soap and water.
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.

GHS Signal Word: Warning

missing translation for 'einecsNumber' : 207-147-1

Product Identifier

• 2-Iodobenzotrifluoride

Signal Word

• Warning

Hazard Category

• Serious eye damage/eye irritation Category 2
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H315-Causes skin irritation.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only