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8.08222

Trichloroacetonitrile

for synthesis

Synonym(s):

Trichloroacetonitrile, Trichloromethylnitrile

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About This Item

Empirical Formula (Hill Notation):
C2Cl3N
CAS Number:
545-06-2
Molecular Weight:
144.39
UNSPSC Code:
12352117
EC Index Number:
208-885-7
NACRES:
NA.22
MDL number:
MFCD00001842
Assay:
≥98.0% (GC)
Form:
liquid
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vapor pressure

77 hPa ( 20 °C)

Quality Segment

200

assay

≥98.0% (GC)

form

liquid

potency

250 mg/kg LD50, oral (Rat)

bp

85.7 °C/1013 hPa

mp

-44 °C

transition temp

flash point >195 °C

solubility

750 mg/L

density

1.44 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

ClC(Cl)(Cl)C#N

InChI

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

InChI key

DRUIESSIVFYOMK-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.442 - 1.448
Identity (IR): passes test

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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

WGK 3

flash_point_f

165.2 °F

flash_point_c

74 °C

Certificates of Analysis (COA)

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