Allyltrichlorosilane

C3H5Cl3SiCAS 107-37-9175.51 g/mol

Open in Covalent MOL file
SiClClCl
Alkene

Properties

Molecular formula
C3H5Cl3Si
Molar mass
175.51 g/mol
Exact mass
173.9226 Da
Density
1.2011 g/mL (at 20 °C)
Melting point
35 °C
Boiling point
117.5 °C
Flash point
35 °C (open cup)
logP
2.83Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
107-37-9
SMILES
C=CC[Si](Cl)(Cl)Cl
InChIKey
HKFSBKQQYCMCKO-UHFFFAOYSA-N
InChI
InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.70 (ddt, J = 16.8, 10.8, 6.8 Hz, 1H), 5.03 (dd, J = 16.8, 1.4 Hz, 1H), 4.97 (dd, J = 10.8, 1.4 Hz, 1H), 1.27 (d, J = 6.8 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 136.2, 115.9, 19.5.
[M + H]+
[M + H]+ Calcd for C3H6Cl3Si 174.9299
[M + Na]+
[M + Na]+ Calcd for C3H5Cl3NaSi 196.9118
[M − H]−
[M − H]− Calcd for C3H4Cl3Si 172.9153
Elemental analysis
Anal. Calcd for C3H5Cl3Si: C, 20.53; H, 2.87.

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Names and synonyms

7 names
  • Silane, trichloro-2-propen-1-yl-
  • Silane, allyltrichloro-
  • Silane, trichloro-2-propenyl-
  • Trichloro-2-propen-1-ylsilane
  • Propen-3-yltrichlorosilane
  • NSC 20940
  • Trichloro(2-propenyl)silane

Work with Allyltrichlorosilane

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

Tetraallylsilane1112-66-950 % similar Dichloromethyl-2-propen-1-ylsilane1873-92-350 % similar Chlorodimethyl-2-propen-1-ylsilane4028-23-350 % similar 5-Hexenyltrichlorosilane18817-29-346 % similar Dimethyldi-2-propen-1-ylsilane1113-12-843 % similar Allyltrimethylsilane762-72-143 % similar Allyltriisopropylsilane24400-84-838 % similar Allyltrimethoxysilane2551-83-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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