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Merck
CN

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:
918-84-3
Molecular Weight:
120.62
NACRES:
NA.22
PubChem Substance ID:
24858356
UNSPSC Code:
12352100
MDL number:
MFCD00000819
Assay:
97%
Form:
liquid

Key Documents

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InChI

1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3

SMILES string

CCC(C)(Cl)CC

InChI key

SGWJUIFOPCZXMR-UHFFFAOYSA-N

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

Quality Level

100

Related Categories

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCT6196
MKCS5571
MKCS5570
MKCN0512
MKCH8774

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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)
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)
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)

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