CAS No.: 493-52-7 — Methyl red (-)

1. Primary Information

English name:	Methyl red
CAS No.:	493-52-7
Molecular formula:	C₁₅H₁₅N₃O₂
Molecular weight:	269.30 g/mol
SMILES:	CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
Structural class:
Other identifiers:	C.I. Acid Red 2 methyl red methyl red, sodium salt

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100ml	0.05%水溶,4.2-6.3	80	RT,12个月	in stock	-
Kehua Intelligence	100ml	0.04%水溶,4.2-6.3	80	室温,12个月	in stock	-
Kehua Intelligence	100ml	0.04%醇溶,4.2-6.3	80	室温,12个月	in stock	-
Kehua Intelligence	100ml	0.1%醇溶,4.2-6.3	80	RT,12个月	in stock	-
Kehua Intelligence	25g	IND	28	RT,避光	in stock	-
Kehua Intelligence	100g	IND	80	RT,避光	in stock	-
Kehua Intelligence	500g	IND	368	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 -3.3205 -2.6689 0.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -2.2081 -0.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -0.0786 -0.1547 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 0.5198 0.6045 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 0.4780 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 0.0724 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 1.3447 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -1.0507 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.3702 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8079 1.4940 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 -0.9014 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.9624 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6734 -1.2828 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3412 0.6267 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 -0.4838 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8938 1.9075 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -0.3135 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 2.0778 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0845 0.9674 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -1.8330 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7762 2.2387 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -2.0544 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 2.4885 0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -1.7815 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0825 1.7779 -0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 0.5761 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 1.3663 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6882 -1.1193 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 -1.6028 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -2.0969 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2647 2.7797 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1994 -1.1588 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 3.0749 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 1.1002 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9437 -3.5746 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 35 1 0 0 0 0 2 20 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

4.2 InChI

InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)

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)