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568201

Sigma-Aldrich

4-tert-Butylphenyl isocyanate

97%

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

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.)

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

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.

Caution

Refrigerate

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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)

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