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Home> Hot Product Listed M   > MOLPORT-003-738-394
1306-06-5 structure

MOLPORT-003-738-394

CAS No.:1306-06-5
Molecular Weight:502.311423
Molecular Formula:C20H13CLFN3OS (isomer)
Names and Identifiers
Synonyms

NE26545

Inchi
InChI=1/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
InChkey
XYJRXVWERLGGKC-UHFFFAOYSA-D
Canonical Smiles
[OH-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
Properties
Melting Point
1700℃
HS Code
28352600
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT TONNAGE_DATA_CONFIDENTIAL view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
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

Computational chemical data
  • Molecular Weight:502.311423g/mol
  • Molecular Formula:C20H13CLFN3OS
  • Exact Mass:501.675956
  • Monoisotopic Mass:501.675956
  • Complexity:36.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:260
  • Heavy Atom Count:21
  • 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:9
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
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  • Tel:805 563 4300
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