1-Chloroadamantane - CAS 935-56-8
Catalog: |
BB040968 |
Product Name: |
1-Chloroadamantane |
CAS: |
935-56-8 |
Synonyms: |
1-chloroadamantane |
IUPAC Name: | 1-chloroadamantane |
Description: | 1-Chloroadamantane, an adamantane derivative shown to exhibit virucidal activity against the NewCAStle disease virus in chick embryo fibroblasts. |
Molecular Weight: | 170.68 |
Molecular Formula: | C10H15Cl |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)Cl |
InChI: | InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2 |
InChI Key: | OZNXTQSXSHODFR-UHFFFAOYSA-N |
Boiling Point: | 232.8 ℃ at 760 mmHg |
Melting Point: | 163-166 ℃ |
Density: | 1.12 g/cm3 |
Appearance: | White to light grey adhering crystalline solid or |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00075627 |
LogP: | 3.19400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111757862-A | Preparation method of amantadine | 20200519 |
CN-111757862-B | Preparation method of amantadine | 20200519 |
US-11118124-B1 | Diamondoid fuels | 20191007 |
JP-2020164485-A | Photopolymerization sensitizer with migration resistance | 20190329 |
WO-2020124212-A1 | Process for the production of isoolefin polymers using a tertiary ether | 20181217 |
PMID | Publication Date | Title | Journal |
22312278 | 20120101 | Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester | International journal of molecular sciences |
21541050 | 20110215 | Correlation of the rates of solvolysis of neopentyl chloroformate-a recommended protecting agent | International journal of molecular sciences |
22174633 | 20110101 | Correlation of the rates of solvolysis of i-butyl fluoroformate and a consideration of leaving-group effects | International journal of molecular sciences |
20717524 | 20100629 | Analysis of the nucleophilic solvation effects in isopropyl chlorothioformate solvolysis | International journal of molecular sciences |
20441297 | 20100428 | Alpha-relaxation dynamics of orientanionally disordered mixed crystals composed of Cl-adamantane and CN-adamantane | The Journal of chemical physics |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0862282 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0862282 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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