tert-Butyl 2,2,2-trichloroacetimidate, 95%, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10767403	Thermo Scientific Acros 369330050	5 g	Glass bottle
10415053	Thermo Scientific Acros 369330250	25 g	Glass bottle
11905601	Thermo Scientific Acros 369331000	100 g	Glass Bottle

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Alkylation reagent

Chemical Identifiers

• CAS: 98946-18-0
• Molecular Weight (g/mol): 218.50
• InChI Key: CQXDYHPBXDZWBA-UHFFFAOYSA-N
• PubChem CID: 2734700
• SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl

• Molecular Formula: C6H10Cl3NO
• MDL Number: MFCD00077410
• Synonym: tert-butyl 2,2,2-trichloroacetimidate, tert-butyl trichloroacetimidate, tert-butyl-2,2,2-trichloroacetimidate, tert-butyl 2,2,2-trichloroethanecarboximidate, 2,2,2-trichloroacetimidic acid tert-butyl ester, t-butyl trichloroacetimidate, t-butyl 2,2,2-trichloroacetimidate, tert-butyl2,2,2-trichloroacetimidate, ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester, 1-tert-butoxy-2,2,2-trichloroethanimine
• IUPAC Name: tert-butyl 2,2,2-trichloroethanimidate

Specifications

• CAS: 98946-18-0
• Color: Colorless to Yellow
• Boiling Point: 64.0°C to 66.0°C (15.0 mmHg)
• Infrared Spectrum: Authentic
• Molecular Formula: C6H10Cl3NO
• Refractive Index: 1.4550 to 1.4570
• Specific Gravity: 1.222
• InChI Key: CQXDYHPBXDZWBA-UHFFFAOYSA-N
• IUPAC Name: tert-butyl 2,2,2-trichloroethanimidate
• PubChem CID: 2734700
• Percent Purity: 95%
• Chemical Name or Material: tert-Butyl 2, 2, 2-trichloroacetimidate

• Melting Point: 20.0°C
• Density: 1.2220g/mL
• Flash Point: 55°C
• Assay Percent Range: 94% min. (GC)
• Linear Formula: CCl₃C(=NH)OC(CH₃)₃
• MDL Number: MFCD00077410
• Synonym: tert-butyl 2,2,2-trichloroacetimidate, tert-butyl trichloroacetimidate, tert-butyl-2,2,2-trichloroacetimidate, tert-butyl 2,2,2-trichloroethanecarboximidate, 2,2,2-trichloroacetimidic acid tert-butyl ester, t-butyl trichloroacetimidate, t-butyl 2,2,2-trichloroacetimidate, tert-butyl2,2,2-trichloroacetimidate, ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester, 1-tert-butoxy-2,2,2-trichloroethanimine
• SMILES: CC(C)(C)OC(=N)C(Cl)(Cl)Cl
• Molecular Weight (g/mol): 218.50
• Formula Weight: 218.51
• Physical Form: Liquid or Low Melting Crystalline Mass

Safety and Handling

GHS H Statement
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Flammable liquid and vapor.

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

GHS Signal Word: Warning

Product Identifier

• tert-Butyl 2,2,2-trichloroacetimidate

Signal Word

• Warning

Hazard Category

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

Hazard Statement

• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H335-May cause respiratory irritation.
• H226-Flammable liquid and vapour.

Precautionary Statement

• P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• 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