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Home> Hot Product Listed B   > BAS 01506957
261762-93-0 structure

BAS 01506957

Iupac Name:2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CAS No.:261762-93-0
Molecular Weight:202.609
Molecular Formula:C12H10INO3 (isomer)
Names and Identifiers
Synonyms

3-(4-hydroxyphenyl)-2-[(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]quinazolin-4(3h)-one 3-(4-hydroxyphenyl)-2-[(z)-(2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]quinazolin-4(3h)-one 3-(4-hydroxy-phenyl)-2-[2-oxo-1,2-dihydro-indol-(3z)-ylidenemethyl]-3h-quinazolin-4-one AKOS000510561 AKOS017259397 BIM-0041562.P001 CBMICRO_041360 CHEMBL1461505 HMS2753B18 mfcd02048783 MLS000776721 MOLPORT-001-964-353 MOLPORT-002-560-159 smr000413120 STK830821 STOCK2S-11208 zx-an034929

Inchi
InChI=1S/C9H8ClFO2/c1-5-2-3-7(10)6(9(5)11)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChkey
WVPCYTGXJQYSCV-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=C(C=C1)Cl)CC(=O)O)F
Safety and Handling
Risk Statements
36/37/38
Safety Statements
Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36Hazard Note Irritant
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 261762-93-0 EC: BAS 01506957 ·ECHA C&L Inventory for CAS: CAS: 261762-93-0 EC: BAS 01506957
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:202.609g/mol
  • Molecular Formula:C12H10INO3
  • Compound Is Canonicalized:True
  • Exact Mass:202.02
  • Monoisotopic Mass:202.02
  • Complexity:198
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:13
  • 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: AAADccBwMQAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIACAAADAKAmCgyCIAAAgCI AiDSCAACAAAgBQAIiAEAAogIIDKBFxCAYAAkwAEIiAeIyPCOBAACAAABAAAIAAQAAAIAAAAAAAAA AA==
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