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Home> Encyclopedia >   /  Ink Dyestuffs  /  Dyestuff Intermediates  /  Custom Manufacturing  /  Oxide  /  Organic Intermediate
Bensulfuron-methyl-d6 structure
Bensulfuron-methyl-d6 structure

Bensulfuron-methyl-d6

Iupac Name:iron(3+);oxygen(2-)
CAS No.:1317-60-8
Molecular Weight:159.69
1. Names and Identifiers
1.1 Name
Bensulfuron-methyl-d6
1.2 CAS No.
1317-60-8
1.3 CID
14833
1.4 Molecular Formula
C26H42O6 (isomer)
1.5 Inchi
InChI=1S/2Fe.3O/q2*+3;3*-2
1.6 InChkey
LIKBJVNGSGBSGK-UHFFFAOYSA-N
1.7 Canonical Smiles
[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
1.8 Isomers Smiles
[O-2].[O-2].[O-2].[Fe+3].[Fe+3]
2. Properties
3.1 Melting point
1538 °C
3.1 Refractive index
Index of refraction: 3.19, 2.91 (LI)
3.1 Vapour pressure
0 mmHg (approx)
3.1 Precise Quality
159.85500
3.1 PSA
0.00000
3.1 logP
-0.36140
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.1 Safety Statements
26
4.1 RIDADR
UN 1376
4.1 WGK Germany
-
4.1 RTECS
NO7400000
4. 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

5. Computational chemical data
  • Molecular Weight:159.69g/mol
  • Molecular Formula:C26H42O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:159.854615
  • Monoisotopic Mass:159.854615
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:3
  • Heavy Atom Count:5
  • 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
  • Iron Hematite is the mineral form of iron (III) oxide (Fe2O3). It is derived from the Greek word for blood (haima) as it can sometimes be red in colour.
  • Hematite is one of the most abundant minerals on Earth's surface and in the shallow crust. It is an iron oxide with a chemical composition of Fe 2 O 3 . It is a common rock-forming mineral found in sedimentary, metamorphic, and igneous rocks at locations throughout the world. Hematite is the mo...
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