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Key Documents

C100005

Sigma-Aldrich

1,3-Cyclohexadiene

contains 0.05% BHT as inhibitor, 97%

Synonym(s):

1,2-Dihydrobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H8
CAS Number:
Molecular Weight:
80.13
Beilstein:
506024
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

form

liquid

contains

0.05% BHT as inhibitor

refractive index

n20/D 1.474 (lit.)

bp

80 °C (lit.)

density

0.841 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C1CC=CC=C1

InChI

1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

InChI key

MGNZXYYWBUKAII-UHFFFAOYSA-N

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Application

1,3-Cyclohexadiene can undergo:
  • C-C coupling with aromatic alcohols via iridium-catalyzed hydrogen auto-transfer and with aldehydes via transfer hydrogenation mediated by isopropanol to form carbonyl addition products.
  • Living anionic polymerization with n-BuLi/TMEDA system to form polycyclohexadiene.
  • Platinum-catalyzed silaboration to form (1R,4S)-1-(dimethylphenylsilyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexene.
  • Aerobic palladium-catalyzed 1,4-diacetoxylation in the presence of cobalt tetra(hydroquinone)porphyrin as an electron transfer reagent.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

66.0 °F

Flash Point(C)

18.9 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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