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Merck
CN

159360

3-Fluorophenyl isocyanate

97%

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About This Item

Linear Formula:
FC6H4NCO
CAS Number:
404-71-7
Molecular Weight:
137.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24849810
EC Number:
206-966-1
Beilstein/REAXYS Number:
774879
MDL number:
MFCD00002015
Assay:
97%
Form:
liquid

Key Documents

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InChI key

RIKWVZGZRYDACA-UHFFFAOYSA-N

InChI

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

SMILES string

Fc1cccc(c1)N=C=O

assay

97%

form

liquid

density

1.201 g/mL at 25 °C (lit.)

functional group

fluoro, isocyanate

storage temp.

2-8°C

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.

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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

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

107.6 °F - closed cup

flash_point_c

42 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL8626
MKCH6143
MKCF4571
MKBZ7659V
MKBV9439V

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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)
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)

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