CAS No.: 101-81-5 — Diphenylmethane (二苯基甲烷)

1. Primary Information

English name:	Diphenylmethane
CAS No.:	101-81-5
Molecular formula:	C₁₃H₁₂
Molecular weight:	168.23 g/mol
SMILES:	C1=CC=C(C=C1)CC2=CC=CC=C2
Structural class:
Other identifiers:	diphenylmethane

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250g	CP	96	RT	in stock	-
Kehua Intelligence	500g	CP	164	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 0 0 0 0 0 0999 V2000 -0.0016 0.0000 -1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 -0.0001 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2689 0.0001 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 1.2080 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8336 -1.2080 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -1.2081 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8338 1.2081 -0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 1.2080 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0031 -1.2081 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0066 -1.2079 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 1.2079 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 0.0002 0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -0.0003 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.8649 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 0.8649 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 2.1566 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3861 -2.1536 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 -2.1567 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 2.1539 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4615 2.1486 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 -2.1486 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4622 -2.1483 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4593 2.1484 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5017 0.0002 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -0.0003 1.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 10 2 0 0 0 0 6 18 1 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 12 2 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 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

benzylbenzene

4.2 InChI

InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2

4.3 InChIKey

CZZYITDELCSZES-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)