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472190

Sigma-Aldrich

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H3(CF3)NCO
CAS Number:
Molecular Weight:
205.11
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

Assay

97%

refractive index

n20/D 1.455 (lit.)

bp

53 °C/2.5 mmHg (lit.)

density

1.418 g/mL at 25 °C (lit.)

functional group

fluoro
isocyanate

SMILES string

Fc1ccc(cc1N=C=O)C(F)(F)F

InChI

1S/C8H3F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

InChI key

NAIKHCBDZGSGHH-UHFFFAOYSA-N

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This Item
080844262391299
grade

analytical standard

grade

analytical standard

grade

-

grade

analytical standard

application(s)

clinical testing

application(s)

clinical testing

application(s)

-

application(s)

clinical testing

format

neat

format

neat

format

-

format

neat

assay

≥97.0% (HPLC)

assay

≥97.0% (HPLC)

assay

≥97.0% (TLC)

assay

≥97.0% (HPLC)

optical activity

[α]/D -23.0±2.0°, c = 0.1 in H2O

optical activity

[α]/D -15.0±2.0°, c = 1 in methanol

optical activity

[α]/D -23±2°, c = 1 in H2O

optical activity

[α]/D -22.0±2.0°, c = 0.1 in H2O

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

-

shelf life

limited shelf life, expiry date on the label

General description

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate is a fluorinated building block.

Application

Useful pharmaceutical building block for the preparation of ureas from amines.[1]

Pictograms

Health hazardExclamation mark

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

159.8 °F - closed cup

Flash Point(C)

71 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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