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264512

Sigma-Aldrich

2,6-Difluorophenylacetonitrile

96%

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About This Item

Linear Formula:
F2C6H3CH2CN
CAS Number:
654-01-3
Molecular Weight:
153.13
EC Number:
211-504-7
MDL number:
MFCD00009973
UNSPSC Code:
12352100
PubChem Substance ID:
24856023
NACRES:
NA.22

Assay

96%

form

liquid

refractive index

n20/D 1.481 (lit.)

density

1.238 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(F)c1CC#N

InChI

1S/C8H5F2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

InChI key

GVAYBGQTAADLJS-UHFFFAOYSA-N

Application

2,6-Difluorophenylacetonitrile has been used in the synthesis of ethyl 4-(2,6-difluorophenyl)-2-ethyl-3-oxobutyrate.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

127.4 °F - closed cup

Flash Point(C)

53 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

264512-1G:4548173126722
264512-5G:4548173126739
264512-BULK:
264512-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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G Sbardella et al.
Antiviral chemistry & chemotherapy, 12(1), 37-50 (2001-07-05)
Several 5-alkyl, 5-alkenyl, 5-iso-alkyl, 5-halo, 5-aminomethyl and 5-carboxy derivatives of S-DABOs (dihydro-alkyl (or cyclo-alkyl)thio-benzyloxopyrimidines), DATNOs (dihydro-alkylthionaphthylmethyl-oxopyrimidines) and F2-S-DABOs (dihydro-alkyl (or cyclo-alkyl)thio-2,6-difluorobenzyl-oxopyrimidines) have been prepared and tested as anti-HIV-1 agents. S-DABO derivatives bearing at C-6 position monosubstituted phenylmethyl or heteroarylmethyl units

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