CAS No.: 102-07-8 — 1,3-Diphenylurea (1,3-二苯脲)

1. Primary Information

English name:	1,3-Diphenylurea
CAS No.:	102-07-8
Molecular formula:	C₁₃H₁₂N₂O
Molecular weight:	212.25 g/mol
SMILES:	C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in methanol	104	2-8℃	in stock	-
Kehua Intelligence	250mg	HPLC≥99%	232	2-8℃	in stock	-
Kehua Intelligence	25g	高纯，98%	24	2-8℃	in stock	-
Kehua Intelligence	100g	高纯，98%	64	2-8℃	in stock	-
Kehua Intelligence	500g	高纯，98%	224	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 0.0062 1.2573 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1568 -0.7767 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.7809 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -0.3771 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 -0.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -1.3349 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 -1.3358 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 0.9800 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 0.9781 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8441 -0.9354 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8407 -0.9346 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1524 1.3794 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 1.3793 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 0.4217 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 0.4230 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -1.7818 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -1.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2710 -2.3959 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 -2.3957 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 1.7813 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 1.7788 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6338 -1.6810 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 -1.6792 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 2.4359 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 2.4361 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2071 0.7327 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2014 0.7353 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 18 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,3-diphenylurea

4.2 InChI

InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

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)