Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

T53805

Sigma-Aldrich

Trichloroacetonitrile

98%

Synonym(s):

Trichlorocyanomethane, Tritox

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
Cl3CCN
CAS Number:
545-06-2
Molecular Weight:
144.39
Beilstein/REAXYS Number:
605572
EC Number:
208-885-7
MDL number:
MFCD00001842
UNSPSC Code:
12352117
PubChem Substance ID:
24900271
NACRES:
NA.22

vapor pressure

58 mmHg ( 20 °C)

Quality Level

200

assay

98%

refractive index

n20/D 1.441 (lit.)

bp

83-84 °C (lit.)

density

1.44 g/mL at 25 °C (lit.)

SMILES string

ClC(Cl)(Cl)C#N

InChI

1S/C2Cl3N/c3-2(4,5)1-6

InChI key

DRUIESSIVFYOMK-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Application

Employed in a synthesis of trichloroacetimidates by DBU catalyzed addition of allylic alcohols and the subsequent study of the MOM catalyzed aza-Claisen rearrangement. Also used to prepare bistrichloroacetimidates from diols leading to dihyrooxazines via acid catalyzed cyclization.

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

165.2 °F

flash_point_c

74 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCL6364
BCCK7316
BCCJ6637
BCCF1453
BCCB5307

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Customers Also Viewed

Slide 1 of 1

1 of 1

4-Methoxybenzyl-2,2,2-trichloroacetimidate

Sigma-Aldrich

679585

4-Methoxybenzyl-2,2,2-trichloroacetimidate

Christophe Rondot et al.
Organic letters, 9(2), 247-250 (2007-01-16)
An efficient synthesis of chiral dihydrooxazines (2) from 1-aryl-2-amino-propane-1,3-diols (1) via the corresponding bistrichloroacetimidate intermediates has been developed. In this transformation, one trichloroacetimidate acts as a leaving group and the other acts as a nucleophile. The cyclization proceeds through an
Tetrahedron, 63, 2123-2123 (2007)
E L Lin et al.
Cancer letters, 62(1), 1-9 (1992-02-14)
Male Fisher 344 rats were administered 1- or 2-[14C]trichloroacetonitrile (TCAN) by oral gavage. DNA was isolated from the liver, kidneys and stomach and several protein fractions (globin, albumin and globulins) were isolated from blood. TCAN binds to both the DNA
M K Smith et al.
Teratology, 38(2), 113-120 (1988-08-01)
Trichloroacetonitrile (TCAN) is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Long-Evans rats were intubated with TCAN (0, 1, 7.5, 15, 35, 55 mg/kg) in a tricaprylin vehicle on gestation
Hua Zhang et al.
Journal of environmental sciences (China), 21(1), 54-61 (2009-05-01)
Dissolved organic matter (DOM) has been identified as precursor for disinfection by-products (DBPs) formation during chlorination. Recently, it has been demonstrated that the characteristics of DOM influence the DBPs formation mechanism. A study was, therefore, initiated to investigate the effects
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service