tert-butyl 2,2,2-trichloroethanecarboximidate

Basic Information

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CAS Number

98946-18-0

Molecular Formula

C6H10Cl3NO

Molecular Weight

218.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

21 °C

Boiling Point

69°C/12mmHg

Density

1.221 g/mL at 25 °C

Solubility

Soluble in organic solvents, cyclo hexane.

Refractive Index

n20/D 1.456(lit.)

SMILES

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CC(C)(C)OC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3

InChIKey

CQXDYHPBXDZWBA-UHFFFAOYSA-N

LogP

3.148970000000001

Topological Polar Surface Area

33.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

156

Safety Information

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GHS Hazard Pictograms

H226

H302

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

2-Methyl-2-propanyl 2,2,2-trichloroethanimidate
t-Butyl trichioroacetimidate
9-(Fluorenylmethylcarbonyl) amide;2,2,2-Trichloroacetimidic acid tert-butyl ester
tert-butyl 2,2,2-trichloroethaneimidoate
2,2,2-trichloroacetoimidate tert-butyl ester
t-butyl-2,2,2-trichloroacetirnidate
tert-Butyl trichloroacetimidate
BCP13849
tert-Butyl 2,2,2-trichloroacetimidate
FT-0609027
tert-Butyl 2,2,2-trichloroacetimidate purum
Ethanimidic acid, 2,2,2-trichloro-, 1,1-dimethylethyl ester
CQXDYHPBXDZWBA-UHFFFAOYSA-N
C6H10Cl3NO
tert.-butyl 2,2,2-trichloroacetimidate
t-butyltrichloroacetimidate
EN300-100400
DTXSID40370451
CS-W009089
tert-Butyl2,2,2-trichloroacetimidate
MFCD00077410
AM20120401
t-butyl 2,2,2-trichloroacetimidate
A24534
tert-Butyl 2,2,2-trichloroacetimidate, 96%
t-butyl-trichloroacetimidate
t-Butyl trichloroacetimidate
tert-butyltrichloroacetimidate
tert-butyl 2,2,2-trichloroethanimidate
SCHEMBL104438
t-butyl-2,2,2-trichloroacetoimidate

MDL Number

MFCD00077410

Customs Code

2925290090

FAQ

What is tert-butyl 2,2,2-trichloroethanecarboximidate (CAS: 98946-18-0)?

Tert-butyl 2,2,2-trichloroethanecarboximidate is a chemical compound with the CAS number 98946-18-0. It has the chemical formula C8H11Cl3N2O2. This compound is characterized by its strong odor and is widely used in various applications due to its unique chemical properties.

What are the main uses of tert-butyl 2,2,2-trichloroethanecarboximidate (CAS: 98946-18-0)?

Tert-butyl 2,2,2-trichloroethanecarboximidate is primarily used in the pharmaceutical industry as a precursor for the synthesis of other compounds. It is also utilized in the production of agrochemicals and as a reagent in organic synthesis.

Is tert-butyl 2,2,2-trichloroethanecarboximidate (CAS: 98946-18-0) safe?

Tert-butyl 2,2,2-trichloroethanecarboximidate is classified as hazardous due to its chemical properties. It is toxic and corrosive. Proper handling and safety measures are essential, including the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Storage and use should comply with local and national safety standards.

How should tert-butyl 2,2,2-trichloroethanecarboximidate (CAS: 98946-18-0) be stored?

Tert-butyl 2,2,2-trichloroethanecarboximidate should be stored in a cool, dry place away from direct sunlight. It should be kept in a well-sealed container to prevent exposure to air and moisture. The storage area should have adequate ventilation. Temperature should be controlled to avoid heat buildup, and the containers should be labeled clearly with proper hazard warnings.