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About This Item
Empirical Formula (Hill Notation):
C6H4S
CAS Number:
Molecular Weight:
108.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.
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Assay
96%
refractive index
n20/D 1.5800 (lit.)
bp
152-153 °C (lit.)
density
1.098 g/mL at 25 °C (lit.)
SMILES string
C#Cc1ccsc1
InChI
1S/C6H4S/c1-2-6-3-4-7-5-6/h1,3-5H
InChI key
MJHLPKWONJUCFK-UHFFFAOYSA-N
Application
3-Ethynylthiophene may be used in the synthesis of the following:
- 1-(2-bromobenzyl)-4-(thiophen-3-yl)-1H-1,2,3-triazole which is obtained by heating with 2-iodophenylethylazide in the presence of copper acetate monohydrate catalyst in N-methyl-2-pyrrolidone[1]
- N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine via a multi-step reaction process[2]
- [(C4H3S-3)C≡CAg]n, a polymeric compound obtained via reaction with silver nitrate in the presence of triethylamine in acetonitrile[3]
- 4,5-bis(thiophen-3-ylethynyl)phthalonitrile via Sonogashira cross-coupling reaction with 4,5-dichlorophthalonitrile[4]
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - 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)
115.0 °F - closed cup
Flash Point(C)
46.1 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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