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Home> Encyclopedia >   /  Carbonate  /  Chloride  /  Pharmaceutical Intermediates  /  Other Inorganic Salts  /  Others
1,2,4-Benzenetriol,6-methyl- structure
1,2,4-Benzenetriol,6-methyl- structure

1,2,4-Benzenetriol,6-methyl-

Iupac Name:sodium;chloride
CAS No.:7647-14-5
Molecular Weight:58.44277
1. Names and Identifiers
1.1 Name
1,2,4-Benzenetriol,6-methyl-
1.2 Synonyms

2,3,5-trihydroxytoluene 3-Methyl-1,2,5-benzenetriol 6-Hydroxyorcinol 6-Methyl-1,2,4-benzenetriol 6-methylbenzene-1,2,4-triol AC1L20VH AC1Q2J7X AKOS025312126 C03338 CHEBI:17185 CTK5E3422 DTXSID50227503 Toluene-2,3,5-triol(7CI,8CI)

1.3 CAS No.
7647-14-5
1.4 CID
5234
1.5 Molecular Formula
C17H19IN4 (isomer)
1.6 Inchi
InChI=1S/ClH.Na/h1H;/q;+1/p-1
1.7 InChkey
FAPWRFPIFSIZLT-UHFFFAOYSA-M
1.8 Canonical Smiles
[Na+].[Cl-]
1.9 Isomers Smiles
[Na+].[Cl-]
2. 3D Conformer
3. Properties
3.1 Density
0.95
3.2 Melting Point
801 °C(lit.)
3.3 Vapour
1 mm Hg ( 865 °C)
3.4 Refractive Index
n20/D 1.378
3.5 Flash Point
174.7°C
4. Safety and Handling
4.1 Risk Statements
36-36/37/38-22
4.2 Safety Statements
24/25-26-36
5. 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

6. Computational chemical data
  • Molecular Weight:58.44277g/mol
  • Molecular Formula:C17H19IN4
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:57.9586220
  • Monoisotopic Mass:57.9586220
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:2
  • 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:2
8. Question & Answer
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