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375047

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

Signal Word

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

375047-BULK:
375047-VAR:
375047-1G:
375047-5G:

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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