3-Cyanopropyltrichlorosilane

C₄H₆Cl₃NSiCAS 1071-27-8202.53 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆Cl₃NSi
Molar mass: 202.53 g/mol
Exact mass: 200.9335 Da
Density: 1.3 g/mL
Boiling point: 93–94 °C (at 8 Torr)
logP: 2.95Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

1071-27-8

SMILES

N#CCCC[Si](Cl)(Cl)Cl

InChIKey

HMFFOEBLYHLRQN-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2

Weigh it out

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

Names and synonyms

6 names

Butanenitrile, 4-(trichlorosilyl)-
Butyronitrile, 4-(trichlorosilyl)-
4-(Trichlorosilyl)butanenitrile
γ-Cyanopropyltrichlorosilane
4-(Trichlorosilyl)butyronitrile
(3-Cyanoporopropyl)trichlorosilane

Work with 3-Cyanopropyltrichlorosilane

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

3-Cyanopropyldimethylchlorosilane18156-15-558 % similar Adiponitrile111-69-350 % similar 1,1′-(1,6-Hexanediyl)bis[1,1,1-trichlorosilane]13083-94-848 % similar Dodecanedinitrile4543-66-248 % similar Octanedinitrile629-40-348 % similar Pimelonitrile646-20-848 % similar 5-Chloropentanenitrile6280-87-144 % similar 7-Chloroheptanenitrile22819-91-642 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook