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Cycloheptatriene

Name: Cycloheptatriene
Brand: ALDRICH
Price: 209 USD
Availability: InStock

95%

Synonym(s):

Tropiliden, Tropilidene

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Pack Size	SKU	Availability	Price
100 mL		Available to ship TODAYfromMILWAUKEE	$209.00
1 L		Available to ship TODAYfromMILWAUKEE	$1,780.00

About This Item

Empirical Formula (Hill Notation):

C₇H₈

CAS Number:

544-25-2

Molecular Weight:

92.14

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24893206

EC Number:

208-866-3

Beilstein/REAXYS Number:

506066

MDL number:

MFCD00004146

Assay:

95%

Form:

liquid

$209.00

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Properties

Quality Level

100

assay

95%

form

liquid

refractive index

n20/D 1.519 (lit.)

bp

116-117 °C (lit.)

density

0.888 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C1C=CC=CC=C1

InChI

1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2

InChI key

CHVJITGCYZJHLR-UHFFFAOYSA-N

Description

General description

Contains 0.02%-0.15% BHT

Application

Cycloheptatriene can be used as a reactant to synthesize:

2-Hydroxyazulene via [2+2] cycloaddition reaction with dichloroketene, and subsequent ring expansion reaction with diazomethane.
7-Alkyl-bicyclo[4.2.1]nona-2,4,7-trienes by cobalt catalyzed [6+2] cycloaddition with terminal alkynes.[1]
(3,5-Cycloheptadienyl)diphenylphosphine ligand by reacting with diphenylphosphine.

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This Item	CLS361125	CLS361110	701491
Sigma-Aldrich C99205 Cycloheptatriene	CLS361125 Pyrex^® moisture test distilling receiver, 24/40 joints	CLS361110 Pyrex^® moisture test distilling receiver, 24/40 joints	Sigma-Aldrich 701491 Silicon dioxide, alumina doped
assay 95%	assay -	assay -	assay ≥99.9% trace metals basis
Quality Level 100	Quality Level -	Quality Level -	Quality Level 100
form liquid	form -	form -	form dispersion, nanoparticles
density 0.888 g/mL at 25 °C (lit.)	density -	density -	density 1.087 g/mL at 25 °C
refractive index n20/D 1.519 (lit.)	refractive index -	refractive index -	refractive index -
storage temp. 2-8°C	storage temp. -	storage temp. -	storage temp. -

pictograms

GHS02,GHS06

signalword

Danger

hcodes

H225,H301 + H311,H315,H319,H335,H412

pcodes

P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

41.0 °F

flash_point_c

5 °C

ppe

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

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(Cycloheptadienyl) diphenylphosphine: A Versatile Hybrid Ligand

Massard A, et al.

Organometallics, 31(3), 947-958 (2012)

The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods.

Michael H Palmer et al.

The Journal of chemical physics, 153(5), 054301-054301 (2020-08-11)

The vacuum ultraviolet (VUV) spectrum for cyclohepta-1,3,5-triene up to 10.8 eV shows several broad bands, which are compared with electron impact spectra. Local curve fitting exposed groups of sharp vibrational peaks, which are assigned to Rydberg states. The vertical excitation

[2+ 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene

Yokoyama R, et al.

Journal of the Chemical Society. Perkin Transactions 1, (18), 2257-2261 (2001)

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Global Trade Item Number

SKU	GTIN
C99205-1L	04061833531396
C99205-100ML	04061838137180

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