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Sigma-Aldrich

4-(Chloromethyl)phenyl isocyanate

97%

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About This Item

Linear Formula:
ClCH2C6H4NCO
CAS Number:
29173-65-7
Molecular Weight:
167.59
MDL number:
MFCD00134403
UNSPSC Code:
12352100
PubChem Substance ID:
24863357
NACRES:
NA.22

assay

97%

form

solid

mp

32-33 °C (lit.)

density

1.216 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

ClCc1ccc(cc1)N=C=O

InChI

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

InChI key

OBYMZHLTKVXPQF-UHFFFAOYSA-N

Related Categories

General description

4-(Chloromethyl)phenyl isocyanate is an aryl isocyanate. It is reported to participate in the anomeric O-acylation of Kdo.

Application

4-(Chloromethyl)phenyl isocyanate may be used in the synthesis of series of carbamate derivatives of Hoechst 33258, potential anticancer agents.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Tsuyoshi Ichiyanagi et al.
Carbohydrate research, 340(17), 2682-2687 (2005-10-04)
To develop a convenient method for the preparation of an alpha-Kdo derivative carrying a functional spacer at the reducing end, we examined anomeric O-acylation using Kdo and halogenated alkyl/aryl isocyanates as nucleophile and electrophiles, respectively. Reaction of a Kdo derivative
Krzysztof Bielawski et al.
Biological & pharmaceutical bulletin, 25(7), 916-919 (2002-07-23)
A series of carbamate derivatives of Hoechst 33258 was prepared as potential anticancer agents. These new compounds (1-4) were readily prepared in good yields by addition of chloroethyl, bromoethyl, chloropropyl or 4-(chloromethyl)phenyl isocyanates to Hoechst 33258. Their cytotoxic activity was
Ashraf Ali et al.
Journal of separation science, 40(12), 2654-2661 (2017-05-06)
A specially designed long open tubular capillary column (50 μm internal diameter and 112 cm effective length) was prepared by fabrication of a thin three-component co-polymer layer on the inner surface of silica capillary. A pretreated silica capillary was reacted with 4-(chloromethyl)phenyl

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