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T53805

Sigma-Aldrich

Trichloroacetonitrile

98%

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Synonym(s):
Trichlorocyanomethane, Tritox
Linear Formula:
Cl3CCN
CAS Number:
Molecular Weight:
144.39
Beilstein/REAXYS Number:
605572
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

vapor pressure

58 mmHg ( 20 °C)

Quality Level

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

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This Item
238813T83607175390
Trichloroacetonitrile 98%

T53805

Trichloroacetonitrile

Bromotriphenylmethane 98%

T83607

Bromotriphenylmethane

Quality Level

200

Quality Level

200

Quality Level

100

Quality Level

100

refractive index

n20/D 1.441 (lit.)

refractive index

-

refractive index

-

refractive index

-

bp

83-84 °C (lit.)

bp

-

bp

230 °C/15 mmHg (lit.)

bp

-

density

1.44 g/mL at 25 °C (lit.)

density

-

density

-

density

-

vapor pressure

58 mmHg ( 20 °C)

vapor pressure

-

vapor pressure

-

vapor pressure

-

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

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


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Customers Also Viewed

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)
Trichloroacetonitrile.
IARC monographs on the evaluation of carcinogenic risks to humans, 71 Pt 3, 1533-1537 (1999-09-07)
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

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