3-Cyanopropyltrichlorosilane
Basic information
- CAS
1071-27-8- Standard SMILES
N#CCCC[Si](Cl)(Cl)Cl- InChIKey
HMFFOEBLYHLRQN-UHFFFAOYSA-N- Molecular formula
- C4H6Cl3NSi
- Average molar mass
- 202.54 g/mol
- Monoisotopic mass
- 200.933509
Names & identifiers
- Preferred name
- 3-Cyanopropyltrichlorosilane
- IUPAC
- 4-trichlorosilylbutanenitrile
- English name
- 3-Cyanopropyltrichlorosilane
- Molecular formula
- C4H6Cl3NSi
- Molecular weight
- 202.54
Names & synonyms
3-Cyanopropyltrichlorosilane1071-27-84-(Trichlorosilyl)butyronitrileButanenitrile, 4-(trichlorosilyl)-Butyronitrile, 4-(trichlorosilyl)-gamma-Cyanopropyltrichlorosilane05M8IU15R8DTXSID5061455RefChem:93575DTXCID9033056213-990-64-Trichlorosilylbutanenitrile
Show more names
DK469DK036CC3555DKSI127DKFELEX0106Silane, trichloro(3-cyanoproTRICHLORO-3-CYANOPROPYLSILANEtrichloro(3-cyanopropyl)-silan
Trichloro(3-cyanopropyl)silane(3-cyanopropyl)trichlorosilane4-(Trichlorosilyl)butanenitrileTrichlor-3-kyanpropylsilanSilane, trichloro(3-cyanopropyl)-MFCD00013832SILANE, (3-CYANOPROPYL)TRICHLORO-.gamma.-Cyanopropyltrichlorosilane
Database identifiers
- CAS
1071-27-8- PubChem CID
- 14063
- DTXSID
DTXSID5061455- UNII
- 05M8IU15R8
- EC Number
- 213-990-6
- Nikkaji
- J36.473H
Properties
Computed structural properties
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 237 · 237-238 °C (lit.)
- Density
- 1.3 g/mL · 1.3 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.464
- Flash point
- 198 °F · 198 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- Specific Gravity
- 1.302 · 1.302
- color
- Clear colorless
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 8 · 8: reacts rapidly with moisture, water, protic solvents
- BRN
- 906924 · 906924
- InChI
- 1S/C4H6Cl3NSi/c5-9(6,7)4-2-1-3-8/h1-2,4H2
- InChIKey
- HMFFOEBLYHLRQN-UHFFFAOYSA-N
- SMILES
- Cl[Si](Cl)(Cl)CCCC#N
- CAS DataBase Reference
- 1071 · 1071-27-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Butanenitrile, 4-(trichlorosilyl)-
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- VV2775000
- ridadr
- UN 2987 8/PG 2
- hs_code
- 2931 90 00
- Toxicity
- LD50 orally in Rabbit: 2830 mg/kg
- risk_code
- 14-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanenitrile, 4-(trichlorosilyl)-: ACTIVE
Applications
Uses3-Cyanopropyltrichlorosilane may be used to functionalize multiwalled carbon nanotubes to prevent aggregation in solutions.{37}
Suppliers
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Related reactions
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Compound notes
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