All Photos(1)
Synonym(s):
1-Ethyl-1-methylpropyl chloride, 3-Chloro-3-methylpentane, 3-Methyl-3-chloropentane, Diethylmethylcarbinyl chloride
Linear Formula:
CH3C(C2H5)2Cl
CAS Number:
Molecular Weight:
120.62
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
97%
form
liquid
refractive index
n20/D 1.421 (lit.)
bp
115-116 °C/760 mmHg (lit.)
density
0.885 g/mL at 25 °C (lit.)
SMILES string
CCC(C)(Cl)CC
InChI
1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3
InChI key
SGWJUIFOPCZXMR-UHFFFAOYSA-N
Application
3-Chloro-3-methylpentane(3C3MP) has structure similar to tertiary chloride groups which are formed as structural defects during the radical polymerization of vinyl chloride (VC). Therefore, 3C3MP is an ideal model compound to study if tertiary chloride defect present in commercial PVC can be active initiating species for metal-catalyzed living radical graft copolymerization.
3C3MP can also be used as a reactant to prepare chloro(1-ethyl-1-methylpropyl)magnesium (Grignard reagent), which is used in the Kumada–Tamao–Corriu coupling reaction.
3C3MP can also be used as a reactant to prepare chloro(1-ethyl-1-methylpropyl)magnesium (Grignard reagent), which is used in the Kumada–Tamao–Corriu coupling reaction.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
Certificates of Analysis (COA)
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An N-heterocyclic carbene-based nickel catalyst for the Kumada-Tamao-Corriu coupling of aryl bromides and tertiary alkyl Grignard reagents
Ando S, et al.
Tetrahedron Letters, 57(30), 3287-3290 (2016)
Kinetic and thermodynamic study of 2-bromo-2-methylbutane, 2-chloro-2-methylbutane and 3-chloro-3-methylpentane in diols.
Albuquerque LC, et al.
Journal of Physical Organic Chemistry, 11(1), 36-40 (1998)
The enthalpies of solution of 2-chloro-2-methylpropane, 2-chloro-2-methylbutane and 3-chloro-3-methylpentane in mono-and dialcohols at 298.15 K.
Albuquerque LMPC, et al.
Thermochimica Acta, 275(1), 67-73 (1996)
Metal-catalyzed living radical graft copolymerization of olefins initiated from the structural defects of poly (vinyl chloride)
Percec V and Asgarzadeh F
Journal of Polymer Science Part A: Polymer Chemistry, 39(7), 1120-1135 (2001)
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