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Merck
CN

303259

1-Chloro-3-methyl-2-butene

95%

Synonym(s):

γ,γ-Dimethylallyl chloride, 1,1-Dimethyl-3-chloro-1-propene, 1-Chloro-3-methyl-2-butene, 2-Methyl-4-chloro-2-butene, 3,3-Dimethylallyl chloride, 3-Methyl-2-butenyl chloride, 3-Methylcrotyl chloride, 4-Chloro-2-methyl-2-butene

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About This Item

Linear Formula:
(CH3)2C=CHCH2Cl
CAS Number:
503-60-6
Molecular Weight:
104.58
NACRES:
NA.22
PubChem Substance ID:
24858112
UNSPSC Code:
12352100
EC Number:
207-972-7
MDL number:
MFCD00000982
Assay:
95%
Form:
liquid

Key Documents

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Product Name

1-Chloro-3-methyl-2-butene, 95%

InChI key

JKXQKGNGJVZKFA-UHFFFAOYSA-N

InChI

1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3

SMILES string

C\C(C)=C\CCl

assay

95%

form

liquid

refractive index

n20/D 1.4488 (lit.)

bp

58-59 °C/120 mmHg (lit.)

density

0.928 g/mL at 25 °C (lit.)

functional group

alkyl halide
chloro

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

1-Chloro-3-methyl-2-butene was used in total synthesis of geraniol.

General description

Kinetics of gas-phase reactions of ozone with 1-chloro-3-methyl-2-butene was studied. Reaction of 1-chloro-3-methyl-2-butene with potassium iodide in acetone and sodium ethoxide in ethanol was studied.

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

55.4 °F - closed cup

flash_point_c

13 °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
MKCL5497
MKCG6860
MKCD1217
MKBS7648V
MKBR8696V

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Allylic Chlorides. VIII. 1-Chloro-3-methyl-2-butene.
Hatch LF and Gerhardt LS.
Journal of the American Chemical Society, 71(5), 1679-1680 (1949)
The influence of orbital asymmetry on the kinetics of the gas-phase reactions of ozone with unsaturated compounds.
Johnson D, et al.
Physical Chemistry Chemical Physics, 2(3), 323-328 (2000)
Allylic Rearrangement in the Reactions of 1-Chloro-3-methyl-2-butene; an Attempt at Total Synthesis of Geraniol.
Kwart H and Miller RK.
Journal of the American Chemical Society, 76(21), 5403-5405 (1954)
Viktor P Bogdanov et al.
Chemistry, an Asian journal, 15(11), 1701-1708 (2020-04-16)
Alkylation of homofullerene [6,6]-C60 (CF2 )2- dianion with the set of alkyl halides, RX, was established to demonstrate an effect of RX nature on the conversion, product composition, and regioselectivity. The respective C60 (CF2 )RH, C60 (CF2 )R2 and C60

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