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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
EC Number:
207-972-7
MDL number:
MFCD00000982
UNSPSC Code:
12352100
PubChem Substance ID:
24858112
NACRES:
NA.22

Key Documents

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Quality Level

100

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

SMILES string

C\C(C)=C\CCl

InChI

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

InChI key

JKXQKGNGJVZKFA-UHFFFAOYSA-N

Related Categories

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.

Application

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

55.4 °F - closed cup

Flash Point(C)

13 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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 Chlorides. VIII. 1-Chloro-3-methyl-2-butene.
Hatch LF and Gerhardt LS.
Journal of the American Chemical Society, 71(5), 1679-1680 (1949)
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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