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Tetrakis(1-methoxy-2-methyl-2-propoxy) zirconium structure
Tetrakis(1-methoxy-2-methyl-2-propoxy) zirconium structure

Tetrakis(1-methoxy-2-methyl-2-propoxy) zirconium

Iupac Name:4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
CAS No.:106261-49-8
Molecular Weight:316.23
1. Names and Identifiers
1.1 Name
Tetrakis(1-methoxy-2-methyl-2-propoxy) zirconium
1.2 CAS No.
106261-49-8
1.3 CID
10335346
1.4 Molecular Formula
C11H8CLF3O2 (isomer)
1.5 Inchi
InChI=1S/C13H18N2O2.2ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17;;/h2-5H,6-10H2,1H3,(H,16,17);2*1H
1.6 InChkey
ISHROKOWRJDOSN-UHFFFAOYSA-N
1.7 Canonical Smiles
CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
1.8 Isomers Smiles
CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
2. 3D Conformer
3. Properties
3.1 Melting Point
305-307℃
3.2 Vapour
0mmHg at 25°C
3.3 Refractive Index
1.675
4. Safety and Handling
4.1 Risk Statements
R22;R36/37/38
4.2 Safety Statements
S22;S26;S36/37/39
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

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4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
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Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-, hydrochloride (1:2)
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Benzoic acid,4-[(4-methyl-1-piperazinyl)methyl]-,hydrochloride
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4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride hemihydrate
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