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159360

Sigma-Aldrich

3-Fluorophenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H4NCO
CAS Number:
404-71-7
Molecular Weight:
137.11
Beilstein:
774879
EC Number:
206-966-1
MDL number:
MFCD00002015
UNSPSC Code:
12352100
PubChem Substance ID:
24849810
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.514 (lit.)

density

1.201 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Fc1cccc(c1)N=C=O

InChI

1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

InChI key

RIKWVZGZRYDACA-UHFFFAOYSA-N

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General description

3-Fluorophenyl isocyanate is an aryl fluorinated building block used in chemical synthesis.

Application

3-Fluorophenyl isocyanate was used in the synthesis of linezolid. It was also used in the preparation of substituted 6-ureidopurines, 6(N2-3-fluorophenyl)ureidopurine.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

107.6 °F

Flash Point(C)

42 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品

Certificates of Analysis (COA)

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Synthesis of new substituted 6-ureidopurines and 6-ureido-9-(2, 3, 5-triacetylribofuranosyl) purines having cytokinin (plant growth promoting) activity.
Mhatre V and Joshi V.
Indian J. Chem. B, 41(12), 2667-2675 (2002)
New synthetic method of linezolid.
Yu D-S, et al.
Chinese Journal of Medicinal Chemistry / Zhong Guo Yao Wu Hua Xue Za Zhi, 2, 2-2 (2005)

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