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456861

Sigma-Aldrich

4-Chlorophenoxyacetonitrile

98%

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About This Item

Linear Formula:
ClC6H4OCH2CN
CAS Number:
3598-13-8
Molecular Weight:
167.59
MDL number:
MFCD00031535
UNSPSC Code:
12352100
PubChem Substance ID:
24869251
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

45-49 °C (lit.)

functional group

chloro
nitrile

SMILES string

Clc1ccc(OCC#N)cc1

InChI

1S/C8H6ClNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2

InChI key

YUGDKEWUYZXXRU-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBT1909V
04004HJ
03219LH
08915BH
02030CE

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Synthesis of C3-Substituted 4-Azaindoles: An Easy Access to 4-Azamelatonin and Protected 4-Azatryptophan.
Jeanty M, et al.
The Journal of Organic Chemistry, 73(!8), 7390-7393 (2008)
Novel and selective 5-HT2C/2B receptor antagonists as potential anxiolytic agents: synthesis, quantitative structure-activity relationships, and molecular modeling of substituted 1-(3-pyridylcarbamoyl) indolines.
Bromidge SM, et al.
Journal of Medicinal Chemistry, 41(10), 1598-1612 (1998)
Vlachou M, et al.
Heterocycles, 129-132 (2002)

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