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T53805

Trichloroacetonitrile

98%

Synonym(s):

Trichlorocyanomethane, Tritox

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About This Item

Linear Formula:
Cl3CCN
CAS Number:
545-06-2
Molecular Weight:
144.39
UNSPSC Code:
12352117
NACRES:
NA.22
PubChem Substance ID:
24900271
EC Number:
208-885-7
Beilstein/REAXYS Number:
605572
MDL number:
MFCD00001842
Assay:
98%
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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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Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

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

WGK 3

Flash Point (°F)

165.2 °F

Flash Point (°C)

74 °C

PPE (personal protective equipment)

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

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