1-Chloroadamantane

C10H15ClCAS 935-56-8170.68 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C10H15Cl
Molar mass
170.68 g/mol
Exact mass
170.0862 Da
Melting point
168.5–169.5 °C
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
935-56-8
SMILES
ClC12CC3CC(CC(C3)C1)C2
InChIKey
OZNXTQSXSHODFR-UHFFFAOYSA-N
InChI
InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Tricyclo[3.3.1.13,7]decane, 1-chloro-
  • Adamantane, 1-chloro-
  • 1-Chlorotricyclo[3.3.1.13,7]decane
  • Adamantyl chloride
  • 1-Adamantyl chloride
  • 3-Chloroadamantane
  • NSC 143629

Work with 1-Chloroadamantane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-2-adamantanone20098-17-354 % similar Di-1-adamantylphosphine131211-27-340 % similar 1-Adamantylthiol34301-54-740 % similar 3-Chloroadamantane-1-carboxylic acid34859-74-040 % similar 1-Chloro-3,5-dimethyladamantane707-36-840 % similar 1-Bromoadamantane768-90-140 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloroadamantane7346-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook