4-(chlorodimethylsilyl)butanenitrile

• ChemBase ID: 109052
• Molecular Formular: C6H12ClNSi
• Molecular Mass: 161.70468
• Monoisotopic Mass: 161.0427536
• SMILES: C[Si](C)(Cl)CCCC#N
• Canonical SMILES: N#CCCC[Si](Cl)(C)C
• InChI: InChI=1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3
• InChIKey: GPIARXZSVWTOMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chlorodimethylsilyl)butanenitrile
• IUPAC Traditional name: 4-(chlorodimethylsilyl)butanenitrile
• Synonyms: γ-CYANOPROPYLDIMETHYLCHLOROSILANE; (3-Cyanopropyl)dimethylchlorosilane; 4-(Chlorodimethylsilyl)butyronitrile; Chloro(3-cyanopropyl)dimethylsilane; Chloro(3-cyanopropyl)dimethylsilane; (3-Cyanopropyl)dimethylchlorosilane; (3-氰丙基)二甲基氯硅烷; 4-(二甲基氯硅基)丁腈; (3-氰基丙基)二甲基氯硅烷; (3-氰丙基)二甲基氯硅烷

Database IDs

• CAS Number: 18156-15-5
• EC Number: 242-039-8
• MDL Number: MFCD00001969
• Beilstein Number: 2235062
• PubChem SID: 162095682; 24857218
• PubChem CID: 87478

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7899
• LogD (pH = 7.4): 1.7899
• Log P: 1.7899
• Molar Refractivity: 37.9671 cm^3
• Polarizability: 16.387484 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108-109°C/15mm; 230-235 °C(lit.)
• Flash Point: 100.4 °F; 38 °C; 85°C(185°F)
• Density: 0.990; 0.990 g/mL at 20 °C(lit.)
• Refractive Index: 1.4460; n20/D 1.446

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2986; UN2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34-37; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H335; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2986 8/PG 2

Product Information

• Purity: ≥90% (GC); 94%
• Grade: technical
• Empirical Formula (Hill Notation): C6H12ClNSi

DETAILS

MP Biomedicals - 05209640

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 28555

Packaging
10 mL in glass bottle