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Home> Hot Product Listed P   > Phenol,4-bromo-2-[[(2-methylphenyl)imino]methyl]-
544-63-8 structure

Phenol,4-bromo-2-[[(2-methylphenyl)imino]methyl]-

CAS No.:544-63-8
Molecular Weight:228.37092
Molecular Formula:C6H7NO2S (isomer)
Names and Identifiers
Synonyms

NSC 115111 Phenol,4-bromo-2-(N-o-tolylformimidoyl)- (8CI)

Inchi
InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
Canonical Smiles
CCCCCCCCCCCCCC(=O)O
Properties
Density
0.968
Melting Point
54-55℃
Boiling Point
°Cat760mmHg
Refractive Index
1.4305 (20 C)
HS Code
29159080
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
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:228.37092g/mol
  • Molecular Formula:C6H7NO2S
  • XLogP3-AA:5.3
  • Exact Mass:228.20893
  • Monoisotopic Mass:228.20893
  • Complexity:155
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:16
  • 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
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