Skip to Content
MilliporeSigma
All Photos(2)

Documents

511935

Sigma-Aldrich

Methyl 4-isocyanatobenzoate

98%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
OCNC6H4CO2CH3
CAS Number:
23138-53-6
Molecular Weight:
177.16
MDL number:
MFCD01863690
UNSPSC Code:
12352100
PubChem Substance ID:
24873592
NACRES:
NA.22

Quality Level

100

assay

98%

mp

50-52 °C (lit.)

storage temp.

2-8°C

SMILES string

COC(=O)c1ccc(cc1)N=C=O

InChI

1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3

InChI key

FQDDBYGPHUUTRN-UHFFFAOYSA-N

Related Categories

General description

Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.

Application

Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.

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

wgk_germany

WGK 3

flash_point_f

closed cup

flash_point_c

closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Synthesis and antitumor activity of heterocycles related to carbendazim.
Remers WA, et al.
Journal of Heterocyclic Chemistry, 52(1), 136-141 (2015)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service