Skip to the beginning of the images gallery

tert-Butyl 2,2,2-trichloroacetimidate - 97%, high purity , CAS No.98946-18-0

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 98946-18-0
Molecular Weight: 218.5
Beilstein Registry Number: 1770049
MDL number: MFCD00077410
PubChem CID: 2734700
PubChem SID: 504761185

In stock

Item Number

T122559

Grouped product items
SKU	Size	Availability	Price
T122559-1g	1g	3	$13.90
T122559-5g	5g	2	$52.90
T122559-10g	10g	2	$94.90
T122559-25g	25g	2	$211.90
T122559-100g	100g	1	$761.90

View related series

C-X (non halogen) bonding reaction (132) Deprotection (54) Derivatization (54) Protection (54)

Basic Description

Synonyms	TBTA \| tert-Butyl 2,2,2-trichloroacetimidate, purum, >=97.0% (GC) \| J-524416 \| t-Butyl trichioroacetimidate \| tert-Butyl 2,2,2-trichloroacetimidate purum \| GS-3508 \| tert-butyl 2,2,2-trichloroethanimidate \| tert-butyltrichloroacetimidate \| AM20120401 \| SC
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Used in the conversion of alcohols and carboxylic acids to their respective ethers and esters.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboximidic acids and derivatives
    - Subclass Imidoesters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboximidic acids and derivatives
Subclass	Imidoesters
Intermediate Tree Nodes	Not available
Direct Parent	Imidoesters
Alternative Parents	Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504761185
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761185
IUPAC Name	tert-butyl 2,2,2-trichloroethanimidate
INCHI	InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3
InChIKey	CQXDYHPBXDZWBA-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=N)C(Cl)(Cl)Cl
Isomeric SMILES	CC(C)(C)OC(=N)C(Cl)(Cl)Cl
WGK Germany	3
PubChem CID	2734700
UN Number	1993
Molecular Weight	218.5
Beilstein	1770049
Reaxy-Rn	1770049

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot Number	Certificate Type	Date	Item
H2322671	Certificate of Analysis	Aug 07, 2023	T122559
H2322672	Certificate of Analysis	Aug 07, 2023	T122559
H2322673	Certificate of Analysis	Aug 07, 2023	T122559
H2322674	Certificate of Analysis	Aug 07, 2023	T122559
H2322676	Certificate of Analysis	Aug 07, 2023	T122559
H2322675	Certificate of Analysis	Aug 07, 2023	T122559
H2322765	Certificate of Analysis	Aug 07, 2023	T122559
H2322677	Certificate of Analysis	Aug 07, 2023	T122559
H2322669	Certificate of Analysis	Aug 07, 2023	T122559
H2322670	Certificate of Analysis	Aug 07, 2023	T122559
I2223121	Certificate of Analysis	Jul 21, 2022	T122559
I2223122	Certificate of Analysis	Jul 21, 2022	T122559
I2223132	Certificate of Analysis	Jul 21, 2022	T122559
G2213381	Certificate of Analysis	Jul 05, 2022	T122559
G2213388	Certificate of Analysis	Jul 05, 2022	T122559
D1820070	Certificate of Analysis	Feb 23, 2022	T122559
D1820071	Certificate of Analysis	Feb 23, 2022	T122559

Show more⌵

Chemical and Physical Properties

Sensitivity	Moisture Sensitive,Heat Sensitive
Refractive Index	1.456
Flash Point(°F)	131 °F
Flash Point(°C)	55 °C
Boil Point(°C)	65°C/11mmHg
Melt Point(°C)	21°C
Molecular Weight	218.500 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	216.983 Da
Monoisotopic Mass	216.983 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration