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Home> Encyclopedia >   /  Phosphate  /  Other Inorganic Salts  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical
2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy- structure
2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy- structure

2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-

Iupac Name:tetrapotassium;phosphonato phosphate
CAS No.:7320-34-5
Molecular Weight:330.33
1. Names and Identifiers
1.1 Name
2H-1-Benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-
1.2 CAS No.
7320-34-5
1.3 CID
23740
1.4 Molecular Formula
C32H16CoN8O8 (isomer)
1.5 Inchi
InChI=1S/4K.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
1.6 InChkey
RYCLIXPGLDDLTM-UHFFFAOYSA-J
1.7 Canonical Smiles
[O-]P(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
1.8 Isomers Smiles
[O-]P(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
2. Properties
3.1 Melting point
1109℃
3.1 Boiling point
775.9±70.0 °C(Predicted)
3.1 Precise Quality
329.76700
3.1 PSA
155.23000
3.1 logP
0.94120
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S36
4.1 WGK Germany
2
4.1 RTECS
JL6735000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:330.33g/mol
  • Molecular Formula:C32H16CoN8O8
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:329.7667523
  • Monoisotopic Mass:329.7667523
  • Complexity:124
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:136
  • Heavy Atom Count:13
  • 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:5
6. Question & Answer
  • Fig 1. Chemical structure formula and three-dimensional structure of Potassium pyrophosphate Potassium pyrophosphate is a whitish-colored powdered solid. Potassium pyrophosphate is toxic by ingestion, and/or inhalation. Contact with the substance should be avoided. Potassium pyrophosphate is mainly...
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