T53805
Trichloroacetonitrile
98%
Synonym(s):
Trichlorocyanomethane, Tritox
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About This Item
Linear Formula:
Cl3CCN
CAS Number:
Molecular Weight:
144.39
UNSPSC Code:
12352117
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-885-7
Beilstein/REAXYS Number:
605572
MDL number:
Assay:
98%
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
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.
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signalword
Danger
hcodes
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
WGK 3
flash_point_f
165.2 °F
flash_point_c
74 °C
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| T53805-5G | 04061837347467 |
| T53805-500G | 04061837347443 |
| T53805-100G | 04061837347412 |