1-Chloroadamantane
Synonym(s):1-Chloroadamantane
- CAS NO.:935-56-8
- Empirical Formula: C10H15Cl
- Molecular Weight: 170.68
- MDL number: MFCD00075627
- EINECS: 213-305-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-26 13:32:57
What is 1-Chloroadamantane?
Chemical properties
white to light grey adhering crystalline solid or
The Uses of 1-Chloroadamantane
1-Chloroadamantane, an adamantane derivative shown to exhibit virucidal activity against the Newcastle disease virus in chick embryo fibroblasts. (Adamantane EP Impurity A)
The Uses of 1-Chloroadamantane
1-Chloroadamantane was employed as precursor for the synthesis of perfluoroadmantane derivatives via aerosol direct fluorination.
Synthesis Reference(s)
Synthetic Communications, 19, p. 1697, 1989 DOI: 10.1080/00397918908051068
General Description
An unusual zwitterionic diradical intermediate complex was generated during the photoinduced electron-transfer substitution reaction between 1-chloroadamantane and tert-butylamine system in a hydrocarbon glass.
Purification Methods
Crystallise the chloride from aqueous MeOH and sublime it at 100o/12torr. It also crystallises from MeOH at -70o. [Stetter et al. Chem Ber 92 1629 1959, Schleyer & Nicholas J Am Chem Soc 83 2700 1961, Beilstein 5 IV 469.]
Properties of 1-Chloroadamantane
Melting point: | 165-166 °C(lit.) |
Boiling point: | 211.58°C (rough estimate) |
Density | 1.0492 (rough estimate) |
refractive index | 1.6012 (estimate) |
storage temp. | 2-8°C |
solubility | DMSO, Methanol (Slightly) |
form | Crystalline |
color | Off-White Sticky |
Water Solubility | Poorly soluble in water. Soluble in hydrocarbons. But readily soluble in nonpolar organic solvents. |
Stability: | Light Sensitive |
InChI | InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2 |
CAS DataBase Reference | 935-56-8(CAS DataBase Reference) |
NIST Chemistry Reference | Adamantane, 1-chloro-(935-56-8) |
EPA Substance Registry System | Tricyclo[3.3.1.13,7]decane, 1-chloro- (935-56-8) |
Safety information for 1-Chloroadamantane
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 1-Chloroadamantane
InChIKey | OZNXTQSXSHODFR-UHFFFAOYSA-N |
SMILES | C12(Cl)CC3CC(CC(C3)C1)C2 |
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