Skip to Content
Merck
CN

Key Documents

View All Documentation

159387

3-(Trifluoromethyl)phenyl isocyanate

97%

Synonym(s):

α,α,α-Trifluoro-m-tolyl isocyanate

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
CF3C6H4NCO
CAS Number:
329-01-1
Molecular Weight:
187.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849812
EC Number:
206-341-3
Beilstein/REAXYS Number:
744880
MDL number:
MFCD00002020
Assay:
97%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

vapor pressure

2.44 psi ( 20 °C)

Quality Segment

100

assay

97%

refractive index

n20/D 1.467 (lit.)

bp

54 °C/11 mmHg (lit.)

density

1.359 g/mL at 25 °C (lit.)

functional group

fluoro, isocyanate

storage temp.

2-8°C

SMILES string

FC(F)(F)c1cccc(c1)N=C=O

InChI

1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H

InChI key

SXJYSIBLFGQAND-UHFFFAOYSA-N

Application

3-(Trifluoromethyl)phenyl isocyanate (α,α,α-Trifluoro-m-tolyl isocyanate) was used in the preparation of (S)-3-hydroxymethyl-2-methoxymethoxy-2′-(3-(3-(trifluoromethyl)phenyl)uryl-benzyl)-1,1′-binaphthalene. It was also used in the preparation of cholesteryl trifluoromethylphenyl carbamate.

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1A - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

136.4 °F - closed cup

flash_point_c

58 °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

It looks like we've run into a problem, but you can still download Certificates of Analysis from our Documents section.

If you need assistance, please contact Customer Support

Already Own This Product?

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

Visit the Document Library