All Photos(2)
Linear Formula:
Ch3C6H4C≡CH
CAS Number:
Molecular Weight:
116.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
97%
refractive index
n20/D 1.5440 (lit.)
bp
170-175 °C (lit.)
density
0.900 g/mL at 25 °C (lit.)
SMILES string
Cc1cccc(c1)C#C
InChI
1S/C9H8/c1-3-9-6-4-5-8(2)7-9/h1,4-7H,2H3
InChI key
RENYIDZOAFFNHC-UHFFFAOYSA-N
Related Categories
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
77.0 °F
Flash Point(C)
25 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Erzsébet Mernyák et al.
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Novel 16-triazoles in the 13α-estrone series were synthesized via Cu(I)-catalyzed azide-alkyne cycloaddition of the two diastereomeric (on C-16 and on C-17) 16-azido-13α-estra-1,3,5(10)-trien-17-ol 3-benzyl ethers with substituted phenylacetylenes. The new heterocyclic derivatives were evaluated in vitro by means of MTT assays
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