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Home> Encyclopedia >   /  Chloride  /  Other Inorganic Salts  /  Halide ( Except Chloride )  /  Other Inorganic Chemicals  /  Pharmaceutical Intermediates
1,1-Cyclopentanedicarboxylic acid,3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-(1E)-1-propenyl-, dimethylester, (3S,4S)- structure
1,1-Cyclopentanedicarboxylic acid,3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-(1E)-1-propenyl-, dimethylester, (3S,4S)- structure

1,1-Cyclopentanedicarboxylic acid,3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-(1E)-1-propenyl-, dimethylester, (3S,4S)-

Iupac Name:calcium;dibromide
CAS No.:7789-41-5
Molecular Weight:199.886
1. Names and Identifiers
1.1 Name
1,1-Cyclopentanedicarboxylic acid,3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-(1E)-1-propenyl-, dimethylester, (3S,4S)-
1.2 CAS No.
7789-41-5
1.3 CID
5360316
1.4 Molecular Formula
C24H20BR2O2 (isomer)
1.5 Inchi
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2
1.6 InChkey
WGEFECGEFUFIQW-UHFFFAOYSA-L
1.7 Canonical Smiles
[Ca+2].[Br-].[Br-]
1.8 Isomers Smiles
[Ca+2].[Br-].[Br-]
2. 3D Conformer
3. Properties
3.1 Melting Point
730 °C
4. Safety and Handling
4.1 Risk Statements
R38
4.2 Safety Statements
S22;S24/25
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:199.886g/mol
  • Molecular Formula:C24H20BR2O2
  • Exact Mass:199.79722
  • Monoisotopic Mass:197.799266
  • Complexity:2.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0
  • 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:3
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