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

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

CAS No:
126764-17-8
Formula:
C9H13Cl
Chemical 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-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;1-chloro-6,6-dimethyl-2-ene-4-yene-heptane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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.

Pale Yellow Oil

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

Molecular Weight：

156.65

Exact Mass：

156.65

EC Number：

603-158-4

Color/Form：

Colourless to Pale Yellow

HScode：

29032990

Characteristics

PSA：

Chemical Properties：

1-Chloro-6,6-dimethyl-2-heptene-4-yne is stable under normal conditions, it reacts with strong oxidizing agents.

XLogP3：

3.4

Density：

0.946

Boiling Point：

207-208°C

Flash Point：

75°C

Refractive Index：

1.4850

Vapor Pressure：

0.324mmHg at 25°C

Critical Temperature & Pressure：

Sealed in dry,2-8°C

Safety Information

hazard class code：

safety instructions：

26-37

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

1-Chloro-6,6-dimethyl-2-heptene-4-yne causes skin irritation and serious eye irritation, it may cause respiratory irritation.

1-Chloro-6,6-dimethyl-2-heptene-4-yne Use and Manufacturing

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

Computed Properties

Molecular Weight:156.65
XLogP3:3.4
Rotatable Bond Count:2
Exact Mass:156.0705781
Monoisotopic Mass:156.0705781
Heavy Atom Count:10
Complexity:170
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Chloro-6,6-dimethyl-2-heptene-4-yne

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