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681857

3-Chlorobenzoylacetonitrile

Name: 3-Chlorobenzoylacetonitrile
Brand: ALDRICH

97%

Synonym(s):

3-Chloro-β-oxobenzenepropanenitrile, 3-Chlorophenacyl cyanide, 3-Oxo-3-(3-chlorophenyl)propionitrile

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About This Item

Empirical Formula (Hill Notation):

C₉H₆ClNO

CAS Number:

21667-62-9

Molecular Weight:

179.60

NACRES:

NA.22

PubChem Substance ID:

24885662

UNSPSC Code:

12352100

MDL number:

MFCD00067891

Assay:

97%

Form:

solid

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Properties

assay

97%

form

solid

mp

79-83 °C

functional group

chloro, ketone, nitrile

SMILES string

Clc1cccc(c1)C(=O)CC#N

InChI

1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2

InChI key

IUDFNNHFARLIPF-UHFFFAOYSA-N

Description

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312 + H332

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

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

01917BH

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Global Trade Item Number

SKU	GTIN
681857-5G	04061832754888
681857-1G	04061825768359