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26140

3-Chloropropionitrile

purum, ≥95.0% (GC)

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About This Item

Linear Formula:
ClCH2CH2CN
CAS Number:
542-76-7
Molecular Weight:
89.52
EC Number:
208-827-0
UNSPSC Code:
12352103
MDL number:
MFCD00001952
Beilstein/REAXYS Number:
1098454
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grade

purum

assay

≥95.0% (GC)

refractive index

n20/D 1.438

bp

174-176 °C (lit.)

mp

−52-−50 °C (lit.)

density

1.144 g/mL at 25 °C (lit.)

SMILES string

ClCCC#N

InChI

1S/C3H4ClN/c4-2-1-3-5/h1-2H2

InChI key

GNHMRTZZNHZDDM-UHFFFAOYSA-N

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

168.8 °F

flash_point_c

76 °C

ppe

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

Regulatory Information

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Neepa Choksi et al.
Cutaneous and ocular toxicology, 39(3), 180-192 (2020-06-27)
OptiSafe is an in chemico test method that identifies potential eye irritants based on macromolecular damage following test chemical exposure. The OptiSafe protocol includes a prescreen assessment that identifies test chemicals that are outside the applicability domain of the test