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935-56-8,MFCD00075627
Catalog No.:AA003E5P
935-56-8 | 1-Chloroadamantane
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100mg
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250mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003E5P
Chemical Name:
1-Chloroadamantane
CAS Number:
935-56-8
Molecular Formula:
C10H15Cl
Molecular Weight:
170.6791
MDL Number:
MFCD00075627
IUPAC Name:
1-chloroadamantane
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
SMILES:
ClC12CC3CC(C2)CC(C1)C3
EC Number:
213-305-0
NSC Number:
143629
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.086g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.68g/mol
Monoisotopic Mass:
170.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
1-Chloroadamantane 
935-56-8 
1-Chlorotricyclo[3.3.1.13,7]decane 
Tricyclo(3.3.1.13,7)decane, 1-chloro- 
1-Chlorotricyclo(3.3.1.13,7)decane 
1-chlorotricyclo[3.3.1.1~3,7~]decane 
C10H15Cl 
chloroadamantane 
1-chloro-adamantane 
EINECS 213-305-0 
1-chloranyladamantane 
NSC 143629 
1-Adamantyl chloride 
PubChem8769 
ACMC-209rmh 
rarechem aq tc 1018 
ADAMANTANE,1-CHLORO 
Tricyclo(3.3.1.1(3,7))decane, 1-chloro- 
labotest-bb lt00033850 
SCHEMBL192524 
AC1L20K0 
Adamantane, 1-chloro- (8CI) 
DTXSID1061318 
Adamantyl chloride 
CTK3I7055 
(3s,5s,7s)-1-chloroadamantane 
ZINC1727389 
ZX-AT025146 
ANW-40071 
BBL033931 
NSC143629 
STL373557 
Tricyclo[3.3.1.13, 1-chloro- 
AKOS001015419 
3-Chloroadamantane 
Tricyclo[3.3.1.1(3, 1-chloro- 
FCH1600993 
MCULE-1024193353 
NSC-143629 
7]decane,1-chloro-tricyclo[3.3.1.1 
AJ-31124 
AN-48079 
CJ-29354 
K701 
DB-003016 
Adamantane, 1-chloro- 
TR-038467 
CS-0063165 
FT-0607643 
ST50826989 
tricyclo[3.3.1.1~3,7~]decane, 1-chloro- 
A844631 
C-54594 
I14-9538 
Amantadine Related Compound A, United States Pharmacopeia (USP) Reference Standard 
InChI=1/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H 
Tricyclo[3.3.1.13,7]decane, 1-chloro- 
C10-H15-Cl 
CID64154 
c0747 
1-Chlortricyclo[3.3.1.1(3,7)]dekan 
Tricyclo(3.3.1.1(3,7)-)decane, 1-chloro- 
MFCD00075627 
1-Chloroadamantane, 98% 
OZNXTQSXSHODFR-UHFFFAOYSA-N 
Literature

Title: 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.

Journal: International journal of molecular sciences 20120101

Title: Correlation of the rates of solvolysis of neopentyl chloroformate-a recommended protecting agent.

Journal: International journal of molecular sciences 20110101

Title: Correlation of the rates of solvolysis of i-butyl fluoroformate and a consideration of leaving-group effects.

Journal: International journal of molecular sciences 20110101

Title: Alpha-relaxation dynamics of orientanionally disordered mixed crystals composed of Cl-adamantane and CN-adamantane.

Journal: The Journal of chemical physics 20100428

Title: Analysis of the nucleophilic solvation effects in isopropyl chlorothioformate solvolysis.

Journal: International journal of molecular sciences 20100101

Title: Chemoselective and biomimetic hydroxylation of hydrocarbons by non-heme micro-oxo-bridged diiron(III) catalysts using m-CPBA as oxidant.

Journal: Dalton transactions (Cambridge, England : 2003) 20090714

Title: [1-(1-Adamantylamino)ethyl-idene]oxonium methane-sulfonate.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Grunwald-Winstein analysis: isopropyl chloroformate solvolysis revisited.

Journal: International journal of molecular sciences 20090301

Title: Corrrelation of the specific rates of solvolysis of ethyl fluoroformate using the extended Grunwald-Winstein equation.

Journal: International journal of molecular sciences 20090301

Title: Correlation of the rates of solvolysis of two arenesulfonyl chlorides and of trans-beta-styrenesulfonyl chloride - precursors in the development of new pharmaceuticals.

Journal: International journal of molecular sciences 20081201

Title: Extended Grunwald-Winstein analysis - LFER used to gauge solvent effects in p-nitrophenyl chloroformate solvolysis.

Journal: International journal of molecular sciences 20081101

Title: The influence of carbon-carbon multiple bonds on the solvolyses of tertiary alkyl halides: A Grunwald-Winstein analysis.

Journal: International journal of molecular sciences 20080901

Title: Concerted solvent processes for common sulfonyl chloride precursors used in the synthesis of sulfonamide-based drugs.

Journal: International journal of molecular sciences 20080501

Title: Relaxation dynamics of orientationally disordered plastic crystals: effect of dopants.

Journal: The journal of physical chemistry. B 20080214

Title: Evidence for different types of water participation in the solvolysis of 1-adamantyl, tert-butyl, and methyl chlorides from density functional theory computations.

Journal: The Journal of organic chemistry 20051209

Title: Nuclear magnetic resonance and dielectric investigations of molecular motions in a glassy crystal: the mixed compound (CN-adm)0.75(Cl-adm)0.25.

Journal: The Journal of chemical physics 20050115

Title: An unusual zwitterionic, diradical intermediate in photochemical electron-transfer substitution reactions.

Journal: Journal of the American Chemical Society 20041013

Title: Solvolysis-decomposition of 2-adamantyl chloroformate: evidence for two reaction pathways.

Journal: The Journal of organic chemistry 20030502

Title: The carbene fragmentation-ring expansion route to bridgehead carbocations.

Journal: Organic letters 20020711

Title: Is the tert-butyl chloride solvolysis the most misunderstood reaction in organic chemistry? Evidence against nucleophilic solvent participation in the tert-butyl chloride transition state and for increased hydrogen bond donation to the 1-adamantyl chloride solvolysis transition state.

Journal: Journal of the American Chemical Society 20011107

Title: Is there something of mode coupling theory in orientationally disordered crystals?

Journal: Physical review letters 20010716

Title: A high pressure FT-IR spectroscopic study of phase transitions in 1-chloro- and 1-bromoadamantane.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010401

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