Skip to Content
Merck
CN

568201

4-tert-Butylphenyl isocyanate

97%

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
(CH3)3CC6H4NCO
CAS Number:
1943-67-5
Molecular Weight:
175.23
NACRES:
NA.22
PubChem Substance ID:
24880428
UNSPSC Code:
12352100
MDL number:
MFCD00040718

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

4-tert-Butylphenyl isocyanate, 97%

InChI

1S/C11H13NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3

SMILES string

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

InChI key

WUWBDQJTQTVBSQ-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.5190 (lit.)

bp

236-237 °C (lit.)

density

0.986 g/mL at 25 °C (lit.)

functional group

isocyanate

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

4-tert-butylphenyl isocyanate may be used in the synthesis of N-(4-tert-butylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1,3-dihydro-2H-isoindole-2-carboxamide.

Disclaimer

Refrigerate

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

210.0 °F - closed cup

flash_point_c

98.9 °C - closed cup

ppe

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKBQ9776V
SHBC0430V
18499MJV
18499MJ
05103CE

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

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

Visit the Document Library

"Identification of 2-[2-(4-tert-butylphenyl) ethyl]-N-(4-fluorophenyl)-1, 2, 3, 4-tetrahydroisoquinoline-6-sulfonamide (29) as an orally available MGAT2 inhibitor"
Busujima T, et al.
Bioorganic & Medicinal Chemistry Letters, 23(17), 5922-5931 (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