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Merck
CN

301655

4-Pyridylacetonitrile hydrochloride

98%

Synonym(s):

4-Pyridineacetonitrile hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C7H6N2 · HCl
CAS Number:
92333-25-0
Molecular Weight:
154.60
NACRES:
NA.22
PubChem Substance ID:
24858204
UNSPSC Code:
12352100
MDL number:
MFCD00012825

Key Documents

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Product Name

4-Pyridylacetonitrile hydrochloride, 98%

InChI

1S/C7H6N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h2-3,5-6H,1H2;1H

SMILES string

Cl[H].N#CCc1ccncc1

InChI key

UBYQSEXKPQZPCN-UHFFFAOYSA-N

assay

98%

form

solid

mp

267 °C (dec.) (lit.)

Application

4-Pyridylacetonitrile hydrochloride was used in preparation of (2Z)-3-(4-hydroxyphenyl)-4-pyridin-4-ylacrylonitrile.

General description

Acylation reaction of 4-pyridylacetonitrile hydrochloride has been reported.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1412679V
1412679
04027DH
11812MO
11409CN

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Acylation and other reactions of 2-and 4-pyridylacetonitrile.
Gutsche CD and Voges HW.
The Journal of Organic Chemistry, 32(9), 2685-2689 (1967)
Synthesis and X-ray structural analysis of (2Z)-3 (4-hydroxyphenyl)-2-pyridin-4-ylacrylonitrile and (2Z)-3-(3, 5-di-tert-butyl-4-hydroxyphenyl) 2-pyridin-4-ylacrylonitrile.
Helvenston MC, et al.
Journal of Chemical Crystallography, 35(2), 113-118 (2005)

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