CAS No.: 13674-84-5 — Tris(1-chloro-2-propyl) phosphate (磷酸三(1-氯-2-丙基)酯)

1. Primary Information

English name:	Tris(1-chloro-2-propyl) phosphate
CAS No.:	13674-84-5
Molecular formula:	C₉H₁₈Cl₃O₄P
Molecular weight:	327.6 g/mol
SMILES:	CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
Structural class:
Other identifiers:	TCIPP compound TCPP phosphate cpd tri-(2-chloroisopropyl)phosphate tris(1-chloro-2-propyl)phosphate tris(2-chloro-1-methylethyl)phosphate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	GC≥98%(mixture of isomers)	296	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 34 0 1 0 0 0 0 0999 V2000 1.0229 -3.3084 -2.2772 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 0.7336 -2.3018 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 2.5115 -2.2971 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 0.0147 0.6231 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7607 -1.2429 -0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -0.0103 -0.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 1.2920 -0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 0.0190 2.1256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.5507 0.2399 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4023 1.0377 0.2207 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0917 1.5162 0.2240 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1569 -3.5583 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6936 0.7684 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 2.7525 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -2.7753 1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 1.0886 1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 1.7118 1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 -2.6444 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 1.9878 -0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 0.6461 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8509 -4.5867 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 -3.4413 -0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4430 1.5417 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 -0.2080 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6071 2.9796 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 3.6248 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -3.8433 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.3742 2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 -2.3107 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 1.6855 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 0.0872 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 1.5698 2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 2.1805 1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 2.3361 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2517 0.7532 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

tris(1-chloropropan-2-yl) phosphate

4.2 InChI

InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3

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)