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Home> Encyclopedia >   /  Carbonate  /  Pharmaceutical Intermediates  /  Other Chemicals  /  Others  /  Other Inorganic Chemicals
4-chloro-2-fluoro-6-iodophenol structure
4-chloro-2-fluoro-6-iodophenol structure

4-chloro-2-fluoro-6-iodophenol

Iupac Name:magnesium;carbonate
CAS No.: 13717-00-5
Molecular Weight:84.3139
Modify Date.: 2022-03-31 22:32
1. Names and Identifiers
1.1 Name
4-chloro-2-fluoro-6-iodophenol
1.2 Synonyms

4-chloro-2-fluoro-6-iodophenol

1.3 CAS No.
13717-00-5
1.4 CID
11029
1.5 Molecular Formula
C10H9NO5 (isomer)
1.6 Inchi
InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
1.7 InChkey
ZLNQQNXFFQJAID-UHFFFAOYSA-L
1.8 Canonical Smiles
C(=O)([O-])[O-].[Mg+2]
1.9 Isomers Smiles
C(=O)([O-])[O-].[Mg+2]
2. Properties
3.1 Melting point
990 deg C
3.1 Refractive index
Index of refraction: 1.536 (alpha), 1.741 (beta)
3.1 Vapour pressure
0 mm Hg (approx) (NIOSH, 2016)
3.1 Precise Quality
83.96980
3.1 PSA
63.19000
3.1 logP
-2.44700
3. Safety and Handling
4.1 Risk Statements
S26-S36/37/39
4.1 Safety Statements
S22;S24/25
4.1 RTECS
OM2470000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight: 84.3139g/mol
  • Molecular Formula: C10H9NO5
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 83.9697855
  • Monoisotopic Mass: 83.9697855
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQAAMAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
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