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568201

4-tert-Butylphenyl isocyanate

Name: 4-<I>tert</I>-Butylphenyl isocyanate
Brand: ALDRICH

97%

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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

Assay:

97%

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Properties

Quality Level

100

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

SMILES string

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

InChI

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

InChI key

WUWBDQJTQTVBSQ-UHFFFAOYSA-N

Description

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

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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

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"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)

Global Trade Item Number

SKU	GTIN
568201-1G	04061825771274
568201-5G	04061832107233