CAS No.: 2635-84-9 — 4-Nitrophenyl butyrate (4-硝基苯基丁酸酯)

1. Primary Information

English name:	4-Nitrophenyl butyrate
CAS No.:	2635-84-9
Molecular formula:	C₁₀H₁₁NO₄
Molecular weight:	209.20 g/mol
SMILES:	CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
Structural class:
Other identifiers:	4-nitrophenyl butyrate p-nitrophenyl butyrate p-nitrophenylbutyrate para-nitrophenyl butyrate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1g	98%	116	-20℃	in stock	-
Kehua Intelligence	5g	98%	376	-20℃	in stock	-
Kehua Intelligence	10g	98%	680	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 -1.4575 -0.0203 1.0336 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9543 0.0004 -1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -1.0838 -0.4929 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5290 1.1113 -0.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 0.0104 -0.3328 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7296 0.0111 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 -0.0216 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 0.0354 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -0.0122 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -0.0127 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -1.2169 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 1.1989 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.0026 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.2092 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8867 1.2067 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5874 -0.8649 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5533 0.8950 -1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8781 -0.9284 1.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 0.8561 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -0.8534 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3446 0.9209 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8619 0.0571 -1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0185 -2.1597 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 2.1356 0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 -2.1664 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 2.1695 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 M CHG 2 3 -1 5 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(4-nitrophenyl) butanoate

4.2 InChI

InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3

4.3 InChIKey

DVDUMIQZEUTAGK-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[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)