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Merck

M65807

2-Methylpentane

≥99%

Synonym(s):

Isohexane

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About This Item

Linear Formula:
CH3CH2CH2CH(CH3)2
CAS Number:
107-83-5
Molecular Weight:
86.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24897096
EC Number:
203-523-4
Beilstein/REAXYS Number:
1730735
MDL number:
MFCD00009406
Assay:
≥99%
Form:
liquid

Key Documents

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vapor density

3 (vs air)

Quality Level

200

vapor pressure

6.77 psi ( 37.7 °C)

assay

≥99%

form

liquid

autoignition temp.

583 °F

expl. lim.

7 %

refractive index

n20/D 1.371 (lit.)

bp

62 °C (lit.)

mp

−154 °C (lit.)

density

0.653 g/mL at 25 °C (lit.)

SMILES string

CCCC(C)C

InChI

1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

InChI key

AFABGHUZZDYHJO-UHFFFAOYSA-N

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Application

2-Methylpentane is mainly used in studies involving the functionalization of aliphatic C–H bonds using different carbene insertion processes to form C–H insertion products. The metal-free Ritter-type amination reaction of tertiary C–H bond using iodic acid as an oxidant in the presence of N-hydroxyphthalimide has also been reported.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKDB0161
MKCX9137
MKCX2567
MKCT4220
MKCT7045

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Metal-Free C--H Functionalization of Alkanes by Aryldiazoacetates.
Tortoreto C, et al.
Organic Letters, 19(4), 770-773 (2017)
Ritter-type amination of C--H bonds at tertiary carbon centers using iodic acid as an oxidant.
Kiyokawa K, et al.
Chemical Communications (Cambridge, England), 52(89), 13082-13085 (2016)
Zinc (II)-Mediated carbene insertion into C--H bonds in alkanes.
Kulkarni N V, et al.
Inorganic Chemistry, 54(23), 11043-11045 (2015)
2-Methylpentane (isohexane). CAS# 107-83-5.
J B Galvin et al.
Journal of toxicology and environmental health. Part A, 58(1-2), 81-92 (1999-10-28)
Andrea N Giordano et al.
The journal of physical chemistry. A, 119(15), 3545-3555 (2015-03-27)
We report the solvent-dependent dynamics of carbonyl site exchange for Fe(CO)3(η(4)-norbornadiene) (FeNBD) in a series of linear and nonlinear alkanes. The barrier to exchange is very low (∼1.5 kcal/mol), and the resulting carbonyl dynamics are rapid enough to lead to
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