Molecular Weight of Toluene (C7H8)

Molecular Weight Description

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Additional Information for Identifying Toluene Molecule

• Structure Data File (SDF/MOL File) of toluene

  The structure data file (SDF/MOL File) of toluene is available for download in the SDF page of toluene, which provides the information on atoms, bonds, connectivity and coordinates of toluene. The toluene structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.

• Chemical structure of toluene

  The molecular structure image of toluene is available in chemical structure page of toluene, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in toluene and the chemical bonds that hold the atoms together.

• Chemical formula of toluene

  The molecular formula of toluene is given in chemical formula page of toluene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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• InChI (IUPAC International Chemical Identifier) information of toluene

  In addition to the molecular weight information, the structural information of toluene in a textual expression is available via InChi. The full standard InChI of toluene is given below:

  InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

  It can provide a way to encode the molecular information of toluene to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of toluene is:

  InChIKey=YXFVVABEGXRONW-UHFFFAOYSA-N

  It may allow easier web searches for toluene. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the toluene as the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of toluene

  There may be different names of the toluene compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

  • BBV-76024126
  • 1202864-97-8
  • 1053657-77-4
  • Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)
  • Toluene, suitable for 1000 per JIS, for residue analysis, >=99.8%
  • Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)
  • TOLUENE (TECHNICAL) (SEE ALSOTOLUENE (NITRATION GRADE) NTP10009-V)
  • Toluene, suitable for 300 per JIS, for residue analysis, >=99.8%
  • Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%
  • Toluene, HPLC Plus, for HPLC, GC, and residue analysis, >=99.9%

  • TOLUENE (SEE ALSO TOLUENE (TECHNICAL), NTP 11617-L)
  • Toluene, suitable for 5000 per JIS, for residue analysis
  • Toluene, pharmaceutical secondary standard; traceable to USP
  • Toluene, p.a., ACS reagent, reag. ISO, 99.5%
  • SR-01000944565-1
  • I01-4407
  • Toluene, ACS spectrophotometric grade, >=99.5%
  • A801937
  • 300204X
  • Toluene, for residue analysis, >=99.8% (GC)

  • Toluene liquid density, NIST(R) SRM(R) 211d
  • Toluene, suitable for scintillation, >=99.7%
  • Toluene, suitable for determination of dioxins
  • S0638
  • Toluene, anhydrous, ZerO2(TM), 99.8%
  • Toluene, UV HPLC spectroscopic, 99.5%
  • Toluene, for HPLC, >=99.7% (GC)
  • Toluene disproportionation catalyst ZA-90
  • 50643-04-4
  • Toluene, Laboratory Reagent, >=99.3%

  • Toluene, JIS special grade, >=99.5%
  • Toluene [UN1294] [Flammable liquid]
  • Toluene, SAJ first grade, >=99.0%
  • Toluene, puriss., >=99.5% (GC)
  • Toluene [UN1294] [Flammable liquid]
  • RTR-002003
  • Toluene, purification grade, 99.8%
  • Poly(1,4-phenylenemethylene)(9CI)
  • BDBM50008558
  • ANW-44012

  • Toluene, PRA grade, >=99.8%
  • Toluene, for HPLC, >=99.9%
  • Toluene, for HPLC, >=99.8%
  • Toluene, technical grade, 95.0%
  • Toluene, AR, rectified, 99.5%
  • Toluene, LR, sulfur free, 99%
  • LTBB002867
  • Toluene, HPLC grade, 99.8%
  • Toluene GC, for residue analysis
  • Toluene, LR, rectified, 99%

  • Toluene, for HPLC, 99.9%
  • Toluene, AR, >=99.5%
  • GTPL5481
  • Toluene, p.a., 99.5%
  • Toluene, ASTM, 99.5%
  • Toluene, anhydrous, 99.8%
  • BIDD:ER0288
  • Toluene, LR, >=99%
  • Toluene, Semiconductor Grade
  • Toluene, Environmental Grade

  • Residual Solvent - Toluene
  • EC 203-625-9
  • Toluene Reagent Grade ACS
  • Toluene, 99% 1L
  • OTOLINE (9CI)
  • TOLUENE- D8
  • Toluene, 99.5%
  • PHENYL, METHYL-
  • 4i7k
  • Toluene, HPLC Grade

  • Toluene, ACS reagent
  • Toluene, for HPLC
  • Toluene (Technical)
  • Toluene HPLC grade
  • Toluene ACS Grade
  • Benzylidyne radical
  • 2-methyl benzene
  • 1-Methylbenzene
  • toluene-
  • 4-methylbenzene

  • 2-methylbenzene
  • Dracyl
  • Cresyl
  • Anisen
  • CAS-108-88-3
  • Toluene, ACS reagent, >=99.5%
  • Tolueno
  • Toluene, analytical standard
  • Otoline
  • MFCD00008512

  • Toluene, anhydrous
  • Toluene, Spectrophotometric Grade
  • 3FPU23BG52
  • p-toluene
  • para-toluene
  • paratoluene
  • EPA Pesticide Chemical Code 080601
  • RCRA waste no. U220
  • UN 1294
  • CP 25

  • Benzene, methyl
  • methyl-Benzene
  • Caswell No. 859
  • RCRA waste number U220
  • Toluolo [Italian]
  • Tolueno [Spanish]
  • Toluen [Czech]
  • Tolueen [Dutch]
  • monomethyl benzene
  • phenyl methane

  • Toluolo
  • Tolueen
  • Methane, phenyl-
  • tolu-sol
  • antisal 1a
  • methylbenzol
  • methacide
  • Toluen
  • Benzene, methyl-
  • Phenylmethane

  • 108-88-3
  • toluol
  • toluene

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Toluene Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of toluene?
C7H8
How many atoms and what are the elements in the toluene molecule?
15 atom(s) - 8 Hydrogen atom(s) and 7 Carbon atom(s)
How many chemical bonds and what types of bonds are in the toluene structure?
15 bond(s) - 7 non-H bond(s), 6 multiple bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the molar mass of toluene?
92.13842 g/mol
What’s the SMILES format of toluene?
Cc1ccccc1
What’s the InChI format of toluene?
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
What’s the InChIKey string of toluene?
YXFVVABEGXRONW-UHFFFAOYSA-N

8233 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).