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Home> Encyclopedia >   /  Carbonate  /  Pharmaceutical Intermediates  /  Inorganic Chemicals  /  Others  /  Other Inorganic Chemicals
1-Chloro-1-(3-(difluoromethoxy)-4-(trifluoromethyl)phenyl)propan-2-one structure
1-Chloro-1-(3-(difluoromethoxy)-4-(trifluoromethyl)phenyl)propan-2-one structure

1-Chloro-1-(3-(difluoromethoxy)-4-(trifluoromethyl)phenyl)propan-2-one

Iupac Name:calcium;carbonate
CAS No.:471-34-1
Molecular Weight:100.0869
1. Names and Identifiers
1.1 Name
1-Chloro-1-(3-(difluoromethoxy)-4-(trifluoromethyl)phenyl)propan-2-one
1.2 CAS No.
471-34-1
1.3 CID
10112
1.4 Molecular Formula
C10H8BRFO2 (isomer)
1.5 Inchi
InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
1.6 InChkey
VTYYLEPIZMXCLO-UHFFFAOYSA-L
1.7 Canonical Smiles
C(=O)([O-])[O-].[Ca+2]
1.8 Isomers Smiles
C(=O)([O-])[O-].[Ca+2]
2. 3D Conformer
3. Properties
3.1 Melting Point
825℃
3.2 Vapour
0 mm Hg (approx) (NIOSH, 2016)
3.3 Refractive Index
1.6583
4. Safety and Handling
4.1 Risk Statements
R36/37/38;R41
4.2 Safety Statements
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) 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

6. Computational chemical data
  • Molecular Weight:100.0869g/mol
  • Molecular Formula:C10H8BRFO2
  • Exact Mass:99.947335
  • Monoisotopic Mass:99.947335
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2
  • Heavy Atom Count:5
  • 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:2
8. Question & Answer
  • Carbon dioxide was bubbled into limewater (a solution of calcium hydroxide) and the solid calcium carbonate precipitated was filtered off, dried and weighed. If 0.50   g " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" 0.50 g 0.50 g of calcium carbona...
  • Safe in context of chemistry, physiology or long term health care prevention ? With zero knowledge, it is safer to stay with commercial products, until you know, what you are doing. For mouthwash, calcium carbonate is quite ineffective, being insoluble solid. Better would be solution of sodium bica...
  • So, in lab we are forming the different polymorphs of calcium carbonate. It required us to age the sample that was prepared for the formation of calcite for one week. This sample mixture was suspended in water. Whilst the other samples that were prepared for vaterite and aragonite were immediately ...
  • How does the balanced reaction look for these compounds? I found that phosphoric acid instead of hydrogen phosphate creates a much easier problem, but the teacher said hydrogen phosphate and I can't seem to balance it.
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