CAS No.: 91-40-7 — N-phenylanthranilic acid (N-苯基代邻氨基苯甲酸)

1. Primary Information

English name:	N-phenylanthranilic acid
CAS No.:	91-40-7
Molecular formula:	C₁₃H₁₁NO₂
Molecular weight:	213.23 g/mol
SMILES:	C1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
Structural class:
Other identifiers:	4-(phenylamino)benzoic acid diphenylamine carboxylate diphenylamine-2-carboxylate diphenylamine-2-carboxylic acid fenamic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	AR，98%	56	RT	in stock	-
Kehua Intelligence	100g	AR，98%	180	RT	in stock	-
Kehua Intelligence	500g	AR，98%	720	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 0 0 0 0 0 0999 V2000 -3.4726 -2.0781 0.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -2.4456 -0.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 -0.4918 0.4033 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 0.3264 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 -0.2273 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6954 -0.2647 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 1.7055 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1742 0.5981 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 -0.9366 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 0.6340 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 2.5308 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0472 1.9771 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -0.7108 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 0.8597 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -1.6640 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 0.1872 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1247 -1.4128 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 2.1643 0.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1537 0.2010 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -1.6384 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.1546 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 3.6041 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 2.6203 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7568 -1.2344 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 1.5548 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 0.3620 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 -3.0450 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 8 2 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-anilinobenzoic acid

4.2 InChI

InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)