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Key Documents

519405

Sigma-Aldrich

1-Ethynyl-3-fluorobenzene

98%

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About This Item

Linear Formula:
FC6H4C≡CH
CAS Number:
Molecular Weight:
120.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

refractive index

n20/D 1.5170 (lit.)

bp

138 °C (lit.)

density

1.039 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(c1)C#C

InChI

1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChI key

PTRUTZFCVFUTMW-UHFFFAOYSA-N

Pictograms

FlameExclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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)

90.0 °F - closed cup

Flash Point(C)

32.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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(NHC) Copper (I)-Catalyzed [3+ 2] Cycloaddition of Azides and Mono-or Disubstituted Alkynes.
Diez-Gonzalez S, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 12(29), 7558-7564 (2006)
Jason Manka et al.
Probe Reports from the NIH Molecular Libraries Program, 2011 Dec 16 (Updated 2013 Mar 7) (2013-06-14)
Allosteric modulators for G-protein-coupled receptors (GPCRs) provide numerous advantages over orthosteric ligands, including greater sub-type selectivity, reduced receptor desensitization, saturability of effect, and potential for enhanced therapeutic index. Positive allosteric modulators (PAMs) of the group I metabotropic glutamate receptor mGlu
Chunfa Xu et al.
Angewandte Chemie (International ed. in English), 53(35), 9316-9320 (2014-07-22)
A new, electrophilic trifluoromethylthiolating reagent, N-trifluoromethylthiosaccharin, was developed and can be synthesized in two steps from saccharin within 30 minutes. N-trifluoromethylthiosaccharin is a powerful trifluoromethylthiolating reagent and allows the trifluoromethylthiolation of a variety of nucleophiles such as alcohols, amines, thiols, electron-rich
Ya Zhou et al.
Probe Reports from the NIH Molecular Libraries Program, 2011 Oct 31 (Updated 2013 Mar 7) (2013-06-14)
A series of acetylenic biaryl mGlu5 positive allosteric modulators (PAMs) have been optimized as pure potentiators in low receptor expressing mGlu5 cell lines. ML254 was identified and shown to competitively interact with the MPEP allosteric binding site. Preliminary data from
Gjergji Shore et al.
Beilstein journal of organic chemistry, 5, 35-35 (2009-09-25)
Methodology has been developed for laying down a thin gold-on-silver film on the inner surface of glass capillaries for the purpose of catalysing benzannulation reactions. The cycloaddition precursors are flowed through these capillaries while the metal film is being heated

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