CAS No.: 23560-59-0 — Heptenophos (庚烯磷)

1. Primary Information

English name:	Heptenophos
CAS No.:	23560-59-0
Molecular formula:	C₉H₁₂ClO₄P
Molecular weight:	250.61 g/mol
SMILES:	COP(=O)(OC)OC1=C(C2C1CC=C2)Cl
Structural class:
Other identifiers:	heptenophos HOE 2982 Hostaquick Ragadan

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	208	-20℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	208	-20℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	464	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 28 0 1 0 0 0 0 0999 V2000 -1.8110 -2.9903 -0.5421 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8759 0.5032 -0.0970 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 -0.6752 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 0.6346 1.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 -0.2089 -0.5252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.7835 -0.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 0.6050 0.7162 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4330 -0.3044 0.6604 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5108 1.8177 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 -0.5503 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5307 -1.3455 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 0.3536 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 1.5119 -0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 -0.5309 2.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -0.6041 -1.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 0.8695 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.5532 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 1.9562 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 2.7349 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -0.0429 -0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 2.1702 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -0.2526 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -0.9581 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5057 -1.2719 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 0.2608 -2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -1.3684 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 -1.0190 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 10 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(7-chloro-6-bicyclo[3.2.0]hepta-2,6-dienyl) dimethyl phosphate

4.2 InChI

InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3

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)