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Merck
CN

487422

4-Methylbenzyl isocyanate

97%

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About This Item

Linear Formula:
CH3C6H4CH2NCO
CAS Number:
56651-57-1
Molecular Weight:
147.17
UNSPSC Code:
12352100
PubChem Substance ID:
24872272
MDL number:
MFCD00673060

Key Documents

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Product Name

4-Methylbenzyl isocyanate, 97%

InChI

1S/C9H9NO/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3

SMILES string

Cc1ccc(CN=C=O)cc1

InChI key

KNYDWDHLGFMGCO-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.522 (lit.)

bp

55 °C/0.5 mmHg (lit.)

density

1.052 g/mL at 25 °C (lit.)

storage temp.

2-8°C

General description

4-Methylbenzyl isocyanate, also known as p-methylbenzyl isocyanate, is an organic building block containing an isocyanate group. Its vapor pressure has been reported.

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

10 - Combustible liquids

wgk

WGK 3

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBB4891V
SHBB2608V
64696HM
01920DH
10511PS

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Emma M Turner et al.
ACS medicinal chemistry letters, 3(2), 146-150 (2012-03-01)
Recently regulators of G protein signalling (RGS) proteins have emerged as potential therapeutic targets since they provide an alternative method of modulating the activity of GPCRs, the target of so many drugs. Inhibitors of RGS proteins must block a protein-protein
Yaws CL
The Yaws Handbook of Vapor Pressure: Antoine coefficients , 77-77 (2015)

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