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C69101

Sigma-Aldrich

3-Chloropropionitrile

98%

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About This Item

Linear Formula:
ClCH2CH2CN
CAS Number:
542-76-7
Molecular Weight:
89.52
Beilstein:
1098454
EC Number:
208-827-0
MDL number:
MFCD00001952
UNSPSC Code:
12352100
PubChem Substance ID:
24892911
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.438 (lit.)

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

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Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H300,H315,H319

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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

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