(3-Acryloxypropyl)trichlorosilane

C₆H₉Cl₃O₂SiCAS 38595-89-0247.57 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₆H₉Cl₃O₂Si
Molar mass: 247.57 g/mol
Exact mass: 245.9437 Da
logP: 2.76Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

38595-89-0

SMILES

C=CC(=O)OCCC[Si](Cl)(Cl)Cl

InChIKey

LEPRPXBFZRAOGU-UHFFFAOYSA-N

InChI

InChI=1S/C6H9Cl3O2Si/c1-2-6(10)11-4-3-5-12(7,8)9/h2H,1,3-5H2

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.43 (dd, J = 16.8, 1.4 Hz, 1H), 6.05 (dd, J = 16.8, 10.8 Hz, 1H), 5.80 (dd, J = 10.8, 1.4 Hz, 1H), 4.08 (t, J = 7.0 Hz, 2H), 1.62 (quint, J = 7.0 Hz, 2H), 0.50 (t, J = 7.0 Hz, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 166.6, 130.3, 129.6, 69.6, 24.8, 12.5.

[M + H]+

[M + H]+ Calcd for C6H10Cl3O2Si 246.9510

[M + Na]+

[M + Na]+ Calcd for C6H9Cl3NaO2Si 268.9330

[M − H]−

[M − H]− Calcd for C6H8Cl3O2Si 244.9365

Elemental analysis

Anal. Calcd for C6H9Cl3O2Si: C, 29.11; H, 3.66.

Weigh it out

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

Names and synonyms

1 name

3-Acryloxypropyltrichlorosilane

Work with (3-Acryloxypropyl)trichlorosilane

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

1,4-Butylene glycol diacrylate1070-70-866 % similar 1,6-Hexanediol diacrylate13048-33-463 % similar Acryloxypropyltrimethoxysilane4369-14-661 % similar Ethylene glycol diacrylate26570-48-959 % similar (3-Acryloxypropyl)dimethylmethoxysilane111918-90-258 % similar (3-Acryloxypropyl)methyldimethoxysilane13732-00-858 % similar Butyl acrylate141-32-256 % similar Chloroethyl acrylate2206-89-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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