CAS No.: 3380-34-5 — Triclosan (三氯生)

1. Primary Information

English name:	Triclosan
CAS No.:	3380-34-5
Molecular formula:	C₁₂H₇Cl₃O₂
Molecular weight:	289.5 g/mol
SMILES:	C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
Structural class:
Other identifiers:	2,4,4'-trichloro-2'-hydroxydiphenyl ether 2-Hydroxy-2',4,4'-trichlorodiphenyl Ether Aquasept Clearasil Daily Face Wash Cliniclean

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	120	2-8℃	in stock	-
Kehua Intelligence	25g	高纯，99%	40	2-8℃	in stock	-
Kehua Intelligence	100g	高纯，99%	104	2-8℃	in stock	-
Kehua Intelligence	500g	高纯，99%	432	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 25 0 0 0 0 0 0 0999 V2000 -1.9929 2.6476 1.0550 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 -1.2993 1.2086 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -1.7896 0.3951 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 1.1637 -0.6411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 0.5101 -2.4666 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 0.5912 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 0.4855 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1581 0.2636 -1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 0.3342 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 1.0681 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 -0.7824 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -0.3210 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 -0.2503 1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3536 0.3617 0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5127 -1.4885 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -0.5780 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5223 -0.9166 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 0.5915 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 -1.2373 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -0.5762 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.4429 2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 0.8067 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 -2.4828 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 0.2175 -2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-chloro-2-(2,4-dichlorophenoxy)phenol

4.2 InChI

InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H

4.3 InChIKey

XEFQLINVKFYRCS-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl

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)