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Merck
CN

C97482

trans,trans,cis-1,5,9-Cyclododecatriene

98%

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About This Item

Empirical Formula (Hill Notation):
C12H18
CAS Number:
706-31-0
Molecular Weight:
162.27
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893188
EC Number:
211-893-3
Beilstein/REAXYS Number:
1362442
MDL number:
MFCD00063609

Key Documents

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Product Name

trans,trans,cis-1,5,9-Cyclododecatriene, 98%

InChI

1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+

InChI key

ZOLLIQAKMYWTBR-RYMQXAEESA-N

SMILES string

C1C\C=C\CC\C=C\CCC=C1

assay

98%

refractive index

n20/D 1.507 (lit.)

bp

231 °C (lit.)

mp

−18 °C (lit.)

density

0.89 g/mL at 25 °C (lit.)

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pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

hcodes

H331,H411

Hazard Classifications

Acute Tox. 3 Inhalation - Aquatic Chronic 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBK9167V
16030LQ
14526BR
13202HR
08805HS

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Reinout Van Kerrebroeck et al.
Molecules (Basel, Switzerland), 24(11) (2019-06-07)
Bromination reactions are crucial in today's chemical industry since the versatility of the formed organobromides makes them suitable building blocks for numerous syntheses. However, the use of the toxic and highly reactive molecular bromine (Br2) makes these brominations very challenging
Xianmiao Zhang et al.
Environmental science. Processes & impacts, 22(4), 1026-1036 (2020-03-03)
The reactions of hexabromocyclododecane (HBCD) isomers with Fe(ii) associated with iron oxides were performed in a pH range from 6.15 to 7.50 at room temperature. It was observed that Fe(ii) associated with iron oxides (i.e., goethite, magnetite, hematite) is a

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