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Home> Hot Product Listed N   > nonyl phenylacetate
13601-19-9 structure

nonyl phenylacetate

Iupac Name:tetrasodium iron(2+) hexacyanide
CAS No.:13601-19-9
Molecular Weight:303.90848
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

AC1LBQSO AC1Q6797 benzeneacetic acid nonyl ester benzeneacetic acid, nonyl ester nonyl 2-phenylacetate nonyl phenylacetate # phenylacetic acid, nonyl ester QICYMLLAPDCBNZ-UHFFFAOYSA-N SCHEMBL11580968

Inchi
InChI=1/6CN.Fe.4Na/c6*1-2;;;;;/q;;;;;;-4;4*+1/rC6FeN6.4Na/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;;/q-4;4*+1
Canonical Smiles
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2]
Properties
Melting Point
82°C -10H?O
Safety and Handling
Risk Statements
21/22-32-52/53
Safety Statements
36/37-61
HazardClass
6.1
PackingGroup
III
Transport
UN1588
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
esco - european salt company GmbH&Co.KG 2013
Gentrochema BV 2017
Südwestdeutsche Salzwerke AG 2013
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:303.90848g/mol
  • Molecular Formula:
  • Exact Mass:303.912465
  • Monoisotopic Mass:303.912465
  • Complexity:127
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:143
  • Heavy Atom Count:17
  • 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:11
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