CAS No.: 120-32-1 — 2-Benzyl-4-chlorophenol (4-氯-2-苄基苯酚)

1. Primary Information

English name:	2-Benzyl-4-chlorophenol
CAS No.:	120-32-1
Molecular formula:	C₁₃H₁₁ClO
Molecular weight:	218.68 g/mol
SMILES:	C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O
Structural class:
Other identifiers:	2-benzyl-4-chlorophenol chlorofene chlorophene clorofene clorophene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	96	2-8℃	in stock	-
Kehua Intelligence	25g	96%	128	2-8℃	in stock	-
Kehua Intelligence	100g	96%	360	2-8℃	in stock	-
Kehua Intelligence	500g	96%	1440	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 27 0 0 0 0 0 0 0999 V2000 3.6620 2.4492 0.3063 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -2.5956 -0.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -0.2937 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9031 -0.2647 -0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 0.0106 -0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -1.4182 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5939 0.9312 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 1.3279 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2979 -1.0220 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 -1.3752 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7851 0.9742 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -0.1791 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1786 1.6126 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -0.7372 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 0.5801 0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5031 -1.2649 -1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 0.4156 -2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 1.8281 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 2.1423 -0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9744 -2.0544 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 -2.2661 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -0.1604 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5217 2.6381 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -1.5413 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 0.8017 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -3.2811 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-benzyl-4-chlorophenol

4.2 InChI

InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

4.3 InChIKey

NCKMMSIFQUPKCK-UHFFFAOYSA-N

4.4 Canonical SMILES

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

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)