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HomeProduct name list1-Chloro-6,6-dimethyl-2-heptene-4-yne

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

  • CAS NO.:126764-17-8
  • Empirical Formula: C9H13Cl
  • Molecular Weight: 156.65
  • MDL number: MFCD04039160
  • EINECS: 603-158-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-05 20:55:42
1-Chloro-6,6-dimethyl-2-heptene-4-yne Structural

What is 1-Chloro-6,6-dimethyl-2-heptene-4-yne?

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

The Uses of 1-Chloro-6,6-dimethyl-2-heptene-4-yne

An intermediate in the synthesis of Terbinafine (T107500).

What are the applications of Application

1-Chloro-6,6-dimethyl-2-heptene-4-yne is a synthesis intermediate

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

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
CAS DataBase Reference 126764-17-8(CAS DataBase Reference)

Safety information for 1-Chloro-6,6-dimethyl-2-heptene-4-yne

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 1-Chloro-6,6-dimethyl-2-heptene-4-yne

InChIKey ZIXABMZBMHDFEZ-UHFFFAOYSA-N
SMILES C(Cl)C=CC#CC(C)(C)C

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