N,N-Diethyl-3,6-difluorophthalamic acid

• CAS: 131401-56-4
• Catalog Number: ACM131401564
• Category: Other Products; Amines
• Molecular Weight: 257.23
• Molecular Formula: C₁₂H₁₃F₂NO₃
• Synonyms: N,N-Diethyl-3,6-difluorophthalamic acid, 131401-56-4, ST50319638, 2-(diethylcarbamoyl)-3,6-difluorobenzoic acid, AC1LELIR, AC1Q2YRK, SureCN1285766, ACMC-1C3K3, 378291_ALDRICH, CTK4B7258, MolPort-003-931-358, AG-D-63719, MCULE-8005402713, N,N-Diethyl-3,6-difluorophthalamicacid, AK-57610, 2-(N,N-diethylcarbamoyl)-3,6-difluorobenzoic acid, Benzoic acid,2-[(diethylamino)carbonyl]-3,6-difluoro-
• IUPAC Name: 2-(diethylcarbamoyl)-3,6-difluorobenzoic acid
• Canonical SMILES: CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)O)F)F
• InChI Key: DYPGXWRGWRATMM-UHFFFAOYSA-N
• Boiling Point: 417ºC at 760 mmHg
• Melting Point: 163-165ºC(lit.)
• Flash Point: 206ºC
• Density: 1.294g/cm³
• Exact Mass: 257.08600
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-37/39
• Symbol: GHS07

Custom Q&A

What is the molecular formula of N,N-Diethyl-3,6-difluorophthalamic acid?

The molecular formula is C12H13F2NO3.

What is the molecular weight of N,N-Diethyl-3,6-difluorophthalamic acid?

The molecular weight is 257.23 g/mol.

What is the IUPAC name of N,N-Diethyl-3,6-difluorophthalamic acid?

The IUPAC name is 2-(diethylcarbamoyl)-3,6-difluorobenzoic acid.

What is the InChI of N,N-Diethyl-3,6-difluorophthalamic acid?

The InChi is InChI=1S/C12H13F2NO3/c1-3-15(4-2)11(16)9-7(13)5-6-8(14)10(9)12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18).

What is the InChIKey of N,N-Diethyl-3,6-difluorophthalamic acid?

The InChIKey is DYPGXWRGWRATMM-UHFFFAOYSA-N.

What is the canonical SMILES of N,N-Diethyl-3,6-difluorophthalamic acid?

The canonical SMILES is CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)O)F)F.

What is the CAS number of N,N-Diethyl-3,6-difluorophthalamic acid?

The CAS number is 131401-56-4.

What is the European Community (EC) number of N,N-Diethyl-3,6-difluorophthalamic acid?

The EC number is 622-866-4.

What is the DSSTox Substance ID of N,N-Diethyl-3,6-difluorophthalamic acid?

The DSSTox Substance ID is DTXSID80350818.

Is N,N-Diethyl-3,6-difluorophthalamic acid a canonicalized compound?

Yes, N,N-Diethyl-3,6-difluorophthalamic acid is a canonicalized compound according to PubChem.