Isobutyl chloride

C₄H₉ClCAS 513-36-092.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₉Cl
Molar mass: 92.57 g/mol
Exact mass: 92.0393 Da
Density: 0.9 g/mL
Melting point: −131 °C
Boiling point: 69 °C
Flash point: -10 °C
logP: 1.88Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor98.8% of notifiers

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

513-36-0

SMILES

CC(C)CCl

InChIKey

QTBFPMKWQKYFLR-UHFFFAOYSA-N

InChI

InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

Propane, 1-chloro-2-methyl-
1-Chloro-2-methylpropane
2-Methylpropyl chloride
2-Methyl-1-chloropropane
2-Chloromethylpropane

Work with Isobutyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-3-methylbutane107-84-644 % similar 1,2-Dichloropropane78-87-544 % similar Bis(2-chloro-1-methylethyl) ether108-60-142 % similar 1-Chloro-2-propanol127-00-442 % similar (R)-1-Chloro-2-propanol19141-39-042 % similar 2-Bromo-1-chloropropane3017-95-642 % similar (S)-1-Chloro-2-propanol37493-16-642 % similar 2,4-Dimethylpentane108-08-740 % similar

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

Same formula

1-Chlorobutane109-69-3 tert-Butyl chloride507-20-0 2-Chlorobutane78-86-4

Elsewhere

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