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Naphth[2',1':4,5]indeno[1,2,3-cd]pyrene (9CI) structure
Naphth[2',1':4,5]indeno[1,2,3-cd]pyrene (9CI) structure

Naphth[2',1':4,5]indeno[1,2,3-cd]pyrene (9CI)

Iupac Name:carbon
CAS No.:7440-44-0
Molecular Weight:16.04246
1. Names and Identifiers
1.1 Name
Naphth[2',1':4,5]indeno[1,2,3-cd]pyrene (9CI)
1.2 CAS No.
7440-44-0
1.3 CID
5462310
1.4 Molecular Formula
C30H18 (isomer)
1.5 Inchi
InChI=1S/C
1.6 InChkey
OKTJSMMVPCPJKN-UHFFFAOYSA-N
1.7 Canonical Smiles
[C]
1.8 Isomers Smiles
[C]
2. Properties
3.1 Melting point
3500℃
3.1 Boiling point
887.3±65.0 °C(Predicted)
3.1 Refractive index
Index of refraction = 2.1500
3.1 Vapour pressure
0 mm Hg (approx) (NIOSH, 2016)
3.1 PSA
0.00000
3.1 logP
0.00000
3. Safety and Handling
4.1 Symbol
GHS02
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25;S22
4.1 Packing Group
III
4.1 Hazard Class
4.2
4.1 Hazard Declaration
H228
4.1 RIDADR
UN 1325 4.1/PG 3
4.1 Caution Statement
P210
4.1 WGK Germany
3
4.1 RTECS
FF5250100
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:16.04246g/mol
  • Molecular Formula:C30H18
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.6
  • Exact Mass:12
  • Monoisotopic Mass:12
  • Complexity:0
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:1
  • 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
6. Question & Answer
  • Perhaps I am too naive, but I am having a hard time visualizing how even 'high-carbon' iron and steel alloys are maybe, at most, about four percent carbon by mass, which still means only one (smaller) atom in 120 or so is carbon rather than iron... How? Is there a diagram that could help me visuali...
  • Carbon tetrafluoride, otherwise known as tetrafluoromethane. Surprisingly, it’s not terribly toxic, which isn’t necessarily what you’d expect from a molecule with four fluorine atoms given fluorine’s kind disposition and gentle manner. Fluorine likes carbon. I mean really likes carbon. The fluo...
  • Carbon is present in the 4thA group in periodic table. As we know that number of valence electrons in a shell depends upon its oxidation state which in turn depends upon group number. As carbon is in 4A group then as definately contains 4 electrons in the valence shell.
  • Benzene C6H6, Cyclohexane C2H12 (for example) and millions of others with one ring. Similar numbers with more than one ring.
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