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

CAS
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CAS
131401-56-4
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Purity
96%
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Availability
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Catalog Number

ACM131401564

Product Name

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

Structure

Structure

CAS

131401-56-4

Category

Heterocyclic Organic Compound

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

Molecular Weight

257.23

Molecular Formula

C₁₂H₁₃F₂NO₃

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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