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Home> Encyclopedia >   /  Oxide  /  Others  /  Pigment  /  Paint & Coating  /  Other Inorganic Chemicals
Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]- structure
Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]- structure

Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]-

Iupac Name:dioxotitanium
CAS No.:1317-80-2
Molecular Weight:79.8658
Introduction: Intermediate in the preparation of Epinephrine metabolites 4-(Benzyloxy)-3-methoxyphenacyl BromideSupplier
1. Names and Identifiers
1.1 Name
Ethanone, 2-bromo-1-[3-methoxy-4-(phenylmethoxy)phenyl]-
1.2 Synonyms

2-BroMo-1-[3-Methoxy-4-(phenylMethoxy)phenyl]ethanone 4'-(Benzyloxy)-2-broMo-3'-Methoxy-acetophenone 4-(Benzyloxy)-3-methoxyphenacyl Bromide

1.3 CAS No.
1317-80-2
1.4 CID
26042
1.5 Molecular Formula
C8H9CL2O2P (isomer)
1.6 Inchi
InChI=1/2O.Ti/rO2Ti/c1-3-2
1.7 InChkey
GWEVSGVZZGPLCZ-UHFFFAOYSA-N
1.8 Canonical Smiles
O=[Ti]=O
1.9 Isomers Smiles
O=[Ti]=O
2. 3D Conformer
3. Properties
3.1 Melting Point
1830-3000℃
3.2 Vapour
0 mm Hg at 68 °F Essentially (NTP, 1992)
3.3 Refractive Index
2.5837
3.4 Chemical Properties
Off-White Solid
4. Use and Manufacturing
4.1 Usage
Intermediate in the preparation of Epinephrine metabolites 4-(Benzyloxy)-3-methoxyphenacyl BromideSupplier
5. Safety and Handling
5.1 Risk Statements
R20
5.2 Safety Statements
26-36
6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

7. Computational chemical data
  • Molecular Weight:79.8658g/mol
  • Molecular Formula:C8H9CL2O2P
  • Exact Mass:79.937776
  • Monoisotopic Mass:79.937776
  • Complexity:18.3
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:3
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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