Diethyl 2-(2-fluoroanilinomethylene)malonate

IUPAC: diethyl 2-[(2-fluoroanilino)methylidene]propanedioate

CAS 63010-68-4
C14H16FNO4

Diethyl 2-(2-fluoroanilinomethylene)malonate (CAS 63010-68-4) is a chemical compound with molecular formula C14H16FNO4 and molecular weight 281.28 g/mol . GHS signal word: Danger. Hazard classifications: Toxic.

What is Diethyl 2-(2-fluoroanilinomethylene)malonate?

Molecular Formula
C14H16FNO4
Molecular Weight
281.28 g/mol

Structure Identifiers

SMILES
CCOC(=O)C(=CNC1=CC=CC=C1F)C(=O)OCC
InChI
InChI=1S/C14H16FNO4/c1-3-19-13(17)10(14(18)20-4-2)9-16-12-8-6-5-7-11(12)15/h5-9,16H,3-4H2,1-2H3
InChIKey
MSFAOJKKCLDGQX-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
281.1063 Da
XLogP
3.30
TPSA
64.6 Ų
H-Bond Donors
1
H-Bond Acceptors
6
Complexity
350
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Toxic GHS06

Hazard Statements

  • H301 Toxic if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (31)

  • 5J-054
  • G60000
  • 667-437-2
  • DB-095875
  • HMS543O08
  • SBB079281
  • STK031963
  • 63010-68-4
  • F1916-8176
  • ST50281012
  • EN300-110925
  • MFCD00017907
  • AB00102436-01
  • AKOS000669740
  • CBMicro_044949
  • RefChem:587097
  • SCHEMBL4154245
  • BIM-0045014.P001
  • Maybridge1_000844
  • Diethyl 2-(2-fluoroanilinomethylene)malonate
  • diethyl 2-[(2-fluoroanilino)methylene]malonate
  • diethyl 2-[(2-fluoroanilino)methylene]propanedioate
  • Diethyl2-(((2-fluorophenyl)amino)methylene)malonate
  • Diethyl 2-(((2-fluorophenyl)amino)methylene)malonate
  • diethyl 2-[(2-fluorophenylamino)methylidene]malonate
  • diethyl 2-[(2-fluoroanilino)methylidene]propanedioate
  • diethyl {[(2-fluorophenyl)amino]methylidene}propanedioate
  • diethyl 2-{[(2-fluorophenyl)amino]methylene}propane-1,3-dioate
  • 1,3-DIETHYL 2-([(2-FLUOROPHENYL)AMINO]METHYLIDENE)PROPANEDIOATE
  • 1,3-diethyl 2-{[(2-fluorophenyl)amino]methylidene}propanedioate
  • 2-[(2-Fluoro-phenylamino)-methylene]-malonic acid diethyl ester

Frequently asked questions

What is the CAS number of Diethyl 2-(2-fluoroanilinomethylene)malonate?

The CAS Registry Number for Diethyl 2-(2-fluoroanilinomethylene)malonate is 63010-68-4.

What is the IUPAC name of Diethyl 2-(2-fluoroanilinomethylene)malonate?

The IUPAC name of Diethyl 2-(2-fluoroanilinomethylene)malonate is diethyl 2-[(2-fluoroanilino)methylidene]propanedioate.

What is the molecular formula of Diethyl 2-(2-fluoroanilinomethylene)malonate?

Diethyl 2-(2-fluoroanilinomethylene)malonate has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol.

What is the SMILES notation for Diethyl 2-(2-fluoroanilinomethylene)malonate?

The SMILES notation for Diethyl 2-(2-fluoroanilinomethylene)malonate is CCOC(=O)C(=CNC1=CC=CC=C1F)C(=O)OCC.

Is Diethyl 2-(2-fluoroanilinomethylene)malonate hazardous?

Diethyl 2-(2-fluoroanilinomethylene)malonate carries the following GHS hazard classifications: Toxic. Signal word: Danger.

What are other names for Diethyl 2-(2-fluoroanilinomethylene)malonate?

Diethyl 2-(2-fluoroanilinomethylene)malonate is also known as 1,3-DIETHYL 2-([(2-FLUOROPHENYL)AMINO]METHYLIDENE)PROPANEDIOATE, 1,3-diethyl 2-{[(2-fluorophenyl)amino]methylidene}propanedioate, 2-[(2-Fluoro-phenylamino)-methylene]-malonic acid diethyl ester, 5J-054, 63010-68-4.

Data sourced from PubChem CID 1799102. Last updated .

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