768-60-5

Name 4-Ethynylanisole
CAS 768-60-5
Molecular Formula C9H8O
MDL Number MFCD00168815
Molecular Weight 132.16
MOL File 768-60-5.mol
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Chemical Properties

Appearance Pale Yellow Oil
Melting point  28-29 °C (lit.)
Boiling point  87-91 °C/11 mmHg (lit.)
density  1.019 g/mL at 25 °C(lit.)
refractive index  n20/D 1.563(lit.)
Fp  180 °F
storage temp.  Store Cold
solubility  Acetontrile (Slightly), Chloroform (Slightly)
form  Liquid or Low Melting Solid
color  Clear colorless to deep yellow or brown
Water Solubility  Insoluble in water. Soluble in chloroform, acetone, dichloromethane, and methanol.
Sensitive  Light Sensitive
Usage Intermediate in the synthesis of histamine H3-receptor antagonists. Also utilized to prepare its luminescent copper complex
Stability: Light and Temperature Sensitive
InChI 1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
InChIKey KBIAVTUACPKPFJ-UHFFFAOYSA-N
SMILES COc1ccc(cc1)C#C
CAS DataBase Reference 768-60-5(CAS DataBase Reference)
NIST Chemistry Reference 4-CH3O-C6H4-CCH(768-60-5)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes  Xn,F
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 1325 4.1/PG 2
WGK Germany  3
PackingGroup  II
HS Code  29093090
Storage Class 11 - Combustible Solids

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