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 Segment
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
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