304255
3-Chloro-3-methylpentane
97%
Synonym(s):
1-Ethyl-1-methylpropyl chloride, 3-Chloro-3-methylpentane, 3-Methyl-3-chloropentane, Diethylmethylcarbinyl chloride
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About This Item
Linear Formula:
CH3C(C2H5)2Cl
CAS Number:
Molecular Weight:
120.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
liquid
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.)
functional group
alkyl halide, chloro
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
48.2 °F - closed cup
flash_point_c
9 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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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)
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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 304255-25G | 04061837857898 |