(3-Chloropropyl)trimethylsilane
Properties
- Molecular formula
- C6H15ClSi
- Molar mass
- 150.72 g/mol
- Exact mass
- 150.0632 Da
- Density
- 0.88 g/mL
- Boiling point
- 151 °C
- logP
- 2.95Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2344-83-4SMILES
C[Si](C)(C)CCCClInChIKey
QXDDDCNYAAJLBT-UHFFFAOYSA-NInChI
InChI=1S/C6H15ClSi/c1-8(2,3)6-4-5-7/h4-6H2,1-3H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.53 (t, J = 7.0 Hz, 2H), 1.85 (quint, J = 7.0 Hz, 2H), 0.50 (t, J = 7.0 Hz, 2H), 0.00 (s, 9H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 46.2, 27.9, 13.4, 0.0.[M + H]+
[M + H]+ Calcd for C6H16ClSi 151.0704[M + Na]+
[M + Na]+ Calcd for C6H15ClNaSi 173.0524[M − H]−
[M − H]− Calcd for C6H14ClSi 149.0559Elemental analysis
Anal. Calcd for C6H15ClSi: C, 47.81; H, 10.03.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Silane, (3-chloropropyl)trimethyl-
- 3-Trimethylsilylpropyl chloride
- γ-Chloropropyltrimethylsilane
- 1-Chloro-3-(trimethylsilyl)propane
- LS 1180
Work with (3-Chloropropyl)trimethylsilane
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
Chloro(3-chloropropyl)dimethylsilane10605-40-055 % similar
Dichloro(3-chloropropyl)methylsilane7787-93-155 % similar
1,3-Bis(3-chloropropyl)-1,1,3,3-tetramethyldisiloxane18132-72-452 % similar
3-(3-Chloropropyl)-1,1,1,5,5,5-hexamethyl-3-((trimethylsilyl)oxy)trisiloxane18077-31-148 % similar
(3-Chloropropyl)dimethoxymethylsilane18171-19-248 % similar
(3-Chloropropyl)trichlorosilane2550-06-348 % similar
Chloro(4-chlorobutyl)dimethylsilane18145-84-146 % similar
3-(Trimethoxysilyl)propyl chloride2530-87-246 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.