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: 2026-05-28 02:58:53
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) |
 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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