chempirical

Chlorocyclobutane

C4H7ClCAS 1120-57-690.55 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C4H7Cl
Molar mass
90.55 g/mol
Exact mass
90.0236 Da
Melting point
155–156 °C
logP
1.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
1120-57-6
SMILES
ClC1CCC1
InChIKey
STJYMUBZVMSMBP-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2

Weigh it out

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

Names and synonyms

2 names
  • Cyclobutane, chloro-
  • Cyclobutyl chloride

Work with Chlorocyclobutane

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

Chlorocyclopentane930-28-983 % similar Chlorocycloheptane2453-46-577 % similar Cyclohexyl chloride542-18-777 % similar 4-Chlorotetrahydro-2H-pyran1768-64-547 % similar 4-Chloropiperidine hydrochloride5382-19-440 % similar 4-Chloro-1-methylpiperidine5570-77-440 % similar 1,2,3-Trichloropropane96-18-438 % similar 2,5-Dichloropentylamine hydrochloride62922-45-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2E)-1-Chloro-2-butene4894-61-5 Methallyl chloride563-47-3 3-Chloro-1-butene563-52-0 (Chloromethyl)cyclopropane5911-08-0 Crotyl chloride591-97-9 4-Chloro-1-butene927-73-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook