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Merck
CN

24045

2-(4-Chlorobutyl)-1,3-dioxolane

≥97.0% (GC)

Synonym(s):

5-Chloro-n-valeraldehyde ethylene acetal

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About This Item

Empirical Formula (Hill Notation):
C7H13ClO2
CAS Number:
118336-86-0
Molecular Weight:
164.63
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57648047
MDL number:
MFCD00043136
Beilstein/REAXYS Number:
4304948
Assay:
≥97.0% (GC)
Form:
liquid

Key Documents

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InChI

1S/C7H13ClO2/c8-4-2-1-3-7-9-5-6-10-7/h7H,1-6H2

SMILES string

ClCCCCC1OCCO1

InChI key

GFTDGDAKGDUYGO-UHFFFAOYSA-N

assay

≥97.0% (GC)

form

liquid

refractive index

n20/D 1.457

bp

56-58 °C/0.1 mmHg (lit.)

density

1.109 g/mL at 20 °C (lit.)

functional group

chloro, ether

Quality Level

200

Related Categories

Application

2-(4-Chlorobutyl)-1,3-dioxolane was used in the synthesis of C-chlorobutylpyrogallol[4]arene.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

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

wgk

WGK 3

flash_point_f

185.0 °F - closed cup

flash_point_c

85.0 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCB5145
BCBZ5922
BCBW9010
BCBV4279
BCBT2234

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Scott J Dalgarno et al.
Chemical communications (Cambridge, England), (36)(36), 3803-3805 (2006-09-14)
Two lower rim halogenated pyrogallol[4]arenes have been synthesised and structurally characterised as either bi-layer or hexameric nano-capsule motifs depending upon chain length and functionalisation.

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