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Home> Hot Product Listed 6   > 6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione
15827-60-8 structure

6-Hydroxy-5-methoxy-1-methyl-2,3,4(1H)-pyridinetrione

Iupac Name:[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
CAS No.:15827-60-8
Molecular Weight:573.19900
Molecular Formula:C11H11N3O3 (isomer)
Names and Identifiers
Synonyms

4-hydroxy-5-methoxy-1-methylpyridine-2,3,6(1h)-trione 6-hydroxy-5-methoxy-1-methylpyridine-2,3,4-trione Antibiotic SEN-34 DTXSID50716341 SCHEMBL16431258 sen-34

Inchi
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
InChkey
DUYCTCQXNHFCSJ-UHFFFAOYSA-N
Canonical Smiles
C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
Properties
Boiling Point
445.9°C at 760 mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.628
Flash Point
56°C
Safety and Handling
Risk Statements
R41; R51/53; R36/37/38
Safety Statements
S26-S36-S33-S28-S23-S16-S9
Transport
UN 1789 8/PG 2
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHT R. Beitlich GmbH 2013
Giovanni Bozzetto SpA 2013
Italmatch UK Ltd. 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Skin irritation, Category 2

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P264 Wash ... thoroughly after handling.

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

Response

P390 Absorb spillage to prevent material damage.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P406 Store in a corrosion resistant/...container with a resistant inner liner.

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:573.19900g/mol
  • Molecular Formula:C11H11N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:573.021
  • Monoisotopic Mass:573.021
  • Complexity:720
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:18
  • Topological Polar Surface Area:297A^2
  • Heavy Atom Count:32
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceBzPAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAgACCAAAADBAAQAAAMAABAA QAAAAIAAAAAAAAAAAAAIAAAAQAAAAAAQAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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