2855-08-5

Basic information

• Product Name: 1-CHLORO-3,3-DIMETHYLBUTANE
• Synonyms: 1-CHLORO-3,3-DIMETHYLBUTANE;3,3-DIMETHYLBUTYL CHLORIDE;NEOHEXYL CHLORIDE;TERT-BUTYLCHLOROETHYLENE;4-chloro-2,2-dimethylbutane;Butane,1-chloro-3,3-dimethyl-
• CAS NO: 2855-08-5
• Molecular Formula: C₆H₁₃Cl
• Molecular Weight: 120.62
• EINECS: 220-665-2
• Mol File: 2855-08-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: -35.1°C (estimate)
• Boiling Point: 116-118°C
• Flash Point: 7°C
• Appearance: /
• Density: 0,867 g/cm3
• Vapor Pressure: 0.00435mmHg at 25°C
• Refractive Index: 1.4200
• Water Solubility: Not miscible or difficult to mix in water.
• BRN: 1731465
• CAS DataBase Reference: 1-CHLORO-3,3-DIMETHYLBUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-3,3-DIMETHYLBUTANE(2855-08-5)
• EPA Substance Registry System: 1-CHLORO-3,3-DIMETHYLBUTANE(2855-08-5)

Safety Data

• Statements: 11
• Safety Statements: 9-16-33
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 2855-08-5(Hazardous Substances Data)

Usage

Uses

1-Chloro-3,3-dimethylbutane is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

InChI:InChI=1/C12H14O/c1-8-3-4-9(2)11(7-8)12(13)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3

Upstream product

• 74-85-1 ethene 
• 507-20-0 tertiary butyl chloride 
• 624-96-4 1,3-dichloro-3-methylbutane 
• 35739-70-9 dimethyldichlorotitanium(IV) 
• 7446-70-0 aluminium trichloride 
• 513-36-0 isobutyryl chloride 
• 109-66-0 pentane 
• 75-83-2 2,2-Dimethylbutane 
• 1070-83-3 tert-Butylacetic acid 
• 7647-01-0 hydrogenchloride 
• 558-37-2 tert-butylethylene 
• 7782-50-5 chlorine 
• 6111-88-2 2-chloro-2,4,4-trimethylpentane 
• 7705-08-0 iron(III) chloride 

Downstream Products

• 79-29-8 2,3-dimethylbutane 
• 15673-05-9 4,4-dimethylvaleronitrile 
• 563-79-1 2,3-Dimethyl-2-butene 
• 558-37-2 tert-butylethylene 
• 624-95-3 3,3-dimethylbutanol 
• 1118-47-4 4,4-dimethylpentanoic acid 
• 19262-20-5 (1,2,2-Trimethyl-propyl)-benzene 
• 94261-00-4 5,5-dimethyl-2-phenyl-hexanoic acid diethylamide 
• 53915-99-4 N-<3-(3.3-dimethylbutoxy)-phenyl>-2-methylbutanamide 
• 29846-93-3 1,1-diethoxy-4,4-dimethyl-pentane 
• 994-30-9 triethylsilyl chloride 
• 850850-93-0 4-(1-{4-[(3,3-dimethylbutyl)amino]phenyl}-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-amine 
• 93145-21-2 α-Neohexyl-phenylessigsaeure-dimethylamid 
• 2768-18-5 5,5-dimethylhexan-1-ol 

Relevant articles and documents

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γ-Silyl-stabilized tertiary ions? Solvolysis of 4-(trimethylsilyl)-2-chloro-2-methylbutane

Rate constant, isotope-effect, and product studies of the solvolysis of 4-(trimethylsilyl)-2-chloro-2-methylbutane, 11, and its carbon analog, 2-chloro-2,5,5-trimethylhexane, 10, in aqueous ethanol and aqueous 2,2,2-trifluoroethanol (TFE) indicate very little participation of the γ-silyl substituent. These results are in sharp contrast to earlier reports on secondary γ-silyl substituted systems, in which the back lobe of the silicon-carbon bond has been shown to overlap with the carbocation p-orbital to form a so-called 'percaudally' stabilized intermediate. While the solvolytic behaviors of 11 and 10 are nearly identical in ethanol, differences in the TFE lead to the conclusion that there is a minor amount of participation by the silyl substituent in that solvent. Interestingly, this observation lends credence to an earlier suggestion that TFE is better than ethanol at stabilizing more highly delocalized ions. Copyright

Evidence for Electron Transfer, Radical and Ionic Pathways in the Decomposition of Diacyl Peroxide

The thermal decomposition mechanism of 4,4-dimethylpentanoyl m-chlorobenzoyl peroxide and its α- and β-dideuteriated analogues is described.Product analyses and CIDNP studies suggest that all three pathways, electron transfer, radical and ionic, are operative in decomposition of these peroxides.Two pulsed-NMR techniques have been employed to eliminate distortions of CIDNP intensities arising from spin-lattice relaxation.These quantitative CIDNP studies have revealed an additional pure ionic pathway which competes with the radical pair electron transfer pathway to form rearranged reaction products.