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C100005

1,3-Cyclohexadiene

Name: 1,3-Cyclohexadiene
Brand: ALDRICH

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:

592-57-4

Molecular Weight:

80.13

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24892292

EC Number:

209-764-1

Beilstein/REAXYS Number:

506024

MDL number:

MFCD00001532

Assay:

97%

Form:

liquid

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Properties

Quality Segment

100

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

Description

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

GHS02,GHS07

signalword

Danger

hcodes

H225,H335

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

66.0 °F

flash_point_c

18.9 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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