Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed A   > AC1Q3C0U
195447-80-4 structure

AC1Q3C0U

Iupac Name:2-[4-fluoro-2-(trifluoromethyl)phenyl]acetic acid
CAS No.:195447-80-4
Molecular Weight:222.139
Molecular Formula:C11H15N3O2 (isomer)
Names and Identifiers
Synonyms

4-methoxy-3-(2,2,2-trifluoroethoxy)aniline hydroch 4-methoxy-3-(2,2,2-trifluoroethoxy)aniline hydrochloride EN300-36136 SC-99496

Inchi
InChI=1S/C9H6F4O2/c10-6-2-1-5(3-8(14)15)7(4-6)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChkey
BMUFUJMVNODTAD-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1F)C(F)(F)F)CC(=O)O
Properties
Melting Point
51-55 ºC(lit.)
Vapour
0.0134mmHg at 25°C
Refractive Index
1.459
Safety and Handling
Risk Statements
R22
Safety Statements
26-36/37
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:222.139g/mol
  • Molecular Formula:C11H15N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:222.03
  • Monoisotopic Mass:222.03
  • Complexity:239
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:15
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBwMcAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwAACAAADACAmBgwCIAAAgCI AiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-519-89803005
  • Fax:86-519-89803575
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86-519-89803025;89803565;89803005
  • Fax:+86-519-89803575
  • Tel:+86 519 8630 5871
  • Fax:
  • Tel:0519-85170101-802
  • Fax:
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:86-519-86202821
  • Fax:86-519-82059043
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:86-519-89803005
  • Fax:86-519-89803575
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86-519-89803025;89803565;89803005
  • Fax:+86-519-89803575
  • Tel:+86 519 8630 5871
  • Fax:
  • Tel:0519-85170101-802
  • Fax:
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:86-519-86202821
  • Fax:86-519-82059043
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<