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Home> Hot Product Listed C   > CEOBSAZJYDIEMT-UHFFFAOYSA-N
12027-67-7 structure

CEOBSAZJYDIEMT-UHFFFAOYSA-N

Iupac Name:hexaazanium;dioxido(dioxo)molybdenum
CAS No.:12027-67-7
Molecular Weight:588.072
Molecular Formula:C16H24N2O (isomer)
Names and Identifiers
Synonyms

1-(chloromethyl)-4-(fluoromethyl)-benzene 1-chloromethyl-4-fluoromethylbenzene AKOS006375393 mfcd19236668 MOLPORT-027-845-565 NE21130 SCHEMBL3518006 ZINC95218253

Inchi
InChI=1S/3Mo.6H3N.12O/h;;;6*1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;6*-1/p+6
InChkey
MYRXLIFJBQXYGL-UHFFFAOYSA-T
Canonical Smiles
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-].[O-][Mo](=O)(=O)[O-]
Properties
Melting Point
190°C
HS Code
28417010
Safety and Handling
Risk Statements
R36/38
Safety Statements
S26
Transport
UN 3264
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 100_1000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
B-Lands Consulting (811500-1) 2015
BASF SE 2015
CENTRUM METAL ODCZYNNIKI CHEMICZNE - MIDAS INVESTMENT SPÓŁKA Z OGRANICZONĄ ODPOWIEDZIALNOŚCIĄ SP.K. 2015
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:588.072g/mol
  • Molecular Formula:C16H24N2O
  • Compound Is Canonicalized:True
  • Exact Mass:588.861
  • Monoisotopic Mass:593.861
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:247A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceADvAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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