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1-Chloro-6,6-dimethyl-2-heptene-4-yne

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1-Chloro-6,6-dimethyl-2-heptene-4-yne Basic information

Product Name:
1-Chloro-6,6-dimethyl-2-heptene-4-yne
Synonyms:
  • 1-Chloro-6,6-dimethylhept-2-en-4-yne(cis+trans)
  • 1-chloro-6,6-dimethyl-5-hept-2-en-4-yne
  • 1-CHLORO-6,6-DIMETHYL-2-ENE-4-YNE-HEPTANE
  • 2-HEPTEN-4-YNE, 1-CHLORO-6,6-DIMETHYL-, (2E)-
  • 1-Chloro-6,6-dimethyl-5-hept-2-en4-yne ( Intermediate of Terbinafine)
  • 1-Chloro-6
  • 6-dimethyl-5-hept-2-en-4-yne
  • TRANS-1-CHLORO-6,6-DIMETHYL-2-HEPTENE-4-YNE
CAS:
126764-17-8
MF:
C9H13Cl
MW:
156.65
EINECS:
603-158-4
Product Categories:
  • API Intermediate
  • Miscellaneous Reagents
  • (intermediate of terbinafine hcl)
Mol File:
126764-17-8.mol
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1-Chloro-6,6-dimethyl-2-heptene-4-yne Chemical Properties

Boiling point:
207-208°C
Density 
0.946
Flash point:
75°C
refractive index 
1.4850
storage temp. 
Sealed in dry,2-8°C
solubility 
Chloroform, Ethyl Acetate (Slightly), Hexane (Slightly), Methanol (Slightly)
form 
Oil
color 
Colourless to Pale Yellow
Stability:
Light Sensitive
InChI
InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3
InChIKey
ZIXABMZBMHDFEZ-UHFFFAOYSA-N
SMILES
C(Cl)C=CC#CC(C)(C)C
CAS DataBase Reference
126764-17-8(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-37
Hazard Note 
Irritant
HS Code 
29032990

MSDS

  • Language:English Provider:ALFA
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1-Chloro-6,6-dimethyl-2-heptene-4-yne Usage And Synthesis

Description

1-Chloro-6,6-dimethyl-2-heptene-4-yne is an intermediate in the synthesis of terbinafine, an orally administered antifungal drug. It can be used to treat fungal infections of the scalp, body, groin (ringworm), feet (tinea pedis), fingernails and toenails.

Chemical Properties

Pale Yellow Oil

Uses

1-Chloro-6,6-dimethyl-2-heptene-4-yne is an intermediate in the synthesis of Terbinafine (T107500).

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