CAS No.: 115-96-8 — Tris(2-chloroethyl) phosphate (磷酸三(2-氯乙基)酯)

1. Primary Information

English name:	Tris(2-chloroethyl) phosphate
CAS No.:	115-96-8
Molecular formula:	C₆H₁₂Cl₃O₄P
Molecular weight:	285.5 g/mol
SMILES:	C(CCl)OP(=O)(OCCCl)OCCCl
Structural class:
Other identifiers:	Fyrol CEF Genomoll P tri(chloroethyl)phosphate tris(2-chlorethyl)orthophosphate tris(2-chloroethyl)phosphate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	95%	400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 25 0 0 0 0 0 0 0999 V2000 -3.6694 -2.0206 -0.1927 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -0.5001 -2.0427 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6334 2.6658 -1.8807 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 -0.1663 1.1182 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -1.2576 0.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -0.6046 0.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 1.1960 0.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -0.0289 2.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -1.4856 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7605 0.2370 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 1.8083 0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -2.5469 -0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 -0.3577 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 3.0612 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1266 -1.8276 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -0.5527 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0351 0.3242 1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 1.2356 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3724 2.0720 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2119 1.1017 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3059 -2.7540 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 -3.4744 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8111 0.2652 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1464 -1.3671 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 3.5625 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 3.7572 -0.0008 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 16 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 19 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

4. International Nomenclature & Identifiers

4.1 IUPAC Name

tris(2-chloroethyl) phosphate

4.2 InChI

InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2

4.3 InChIKey

HQUQLFOMPYWACS-UHFFFAOYSA-N

4.4 Canonical SMILES

C(CCl)OP(=O)(OCCCl)OCCCl

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)