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478296

3-Fluoro-4-methylphenyl isocyanate

98%

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About This Item

Linear Formula:
FC6H3(CH3)NCO
CAS Number:
102561-42-2
Molecular Weight:
151.14
UNSPSC Code:
12352100
PubChem Substance ID:
24871488
MDL number:
MFCD00037071
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assay

98%

refractive index

n20/D 1.516 (lit.)

bp

187-192 °C (lit.)

density

1.175 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(cc1F)N=C=O

InChI

1S/C8H6FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3

InChI key

FWRCOINKYLERQL-UHFFFAOYSA-N

General description

3-Fluoro-4-methylphenyl isocyanate, also known as 2-fluoro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group.

Application

3-Fluoro-4-methylphenyl isocyanate may be used in the synthesis of 3-fluoro analogue of 5-(acetamido-methyl)oxazolidinones.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

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

10 - Combustible liquids

wgk

WGK 3

flash_point_f

174.2 °F - closed cup

flash_point_c

79 °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
16616PS
04223EO
11307DU
08812LR
03530DU

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C H Park et al.
Journal of medicinal chemistry, 35(6), 1156-1165 (1992-03-20)
The synthesis and structure-activity relationship (SAR) studies of the effect of different polysubstitution patterns in the aromatic ring of 5-(acetamidomethyl)oxazolidinone antibacterials (I) on antibacterial activity are presented. Compounds I were prepared by the six-step synthesis described previously (Gregory, W. A.;

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