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Cas Database |
| Name |
2-Amino-5-methylbenzonitrile |
EINECS | 625-328-7 |
| CAS No. | 5925-93-9 | Density | 1.1 g/cm3 |
| PSA | 49.81000 | LogP | 2.03008 |
| Solubility | N/A | Melting Point |
59-63 °C |
| Formula | C8H8N2 | Boiling Point | 294.6 °C at 760 mmHg |
| Molecular Weight | 132.165 | Flash Point | 132 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
m-Tolunitrile,6-amino- (7CI,8CI);2-Amino-5-methylbenzonitrile;5-Methylanthranilonitrile;6-Amino-m-tolunitrile;NSC 51672; |
Article Data | 20 |
2-Amino-5-methylbenzonitrile Synthetic route
- 64113-86-6
2-nitro-5-methylbenzonitrile
- 5925-93-9
2-amino-5-methylbenzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 2-nitro-5-methylbenzonitrile With hydrogenchloride; tin(ll) chloride In ethanol; water at 20 - 30℃; for 1h; Stage #2: With sodium hydroxide In ethanol; water pH=7; | 99% |
| With titanium(III) chloride In water; acetone for 0.5h; | 92% |
| With sodium dithionite In water; acetonitrile at 0 - 25℃; for 0.5h; | 78.4% |
| Conditions | Yield |
|---|---|
| In 1-methyl-pyrrolidin-2-one for 24h; Reflux; Inert atmosphere; | 91% |
| With 1-methyl-pyrrolidin-2-one for 24h; Reflux; | 91% |
| Stage #1: 2-iodo-4-methylaniline; copper(l) cyanide In N,N-dimethyl-formamide at 130℃; for 3h; Stage #2: With sodium cyanide In water; N,N-dimethyl-formamide for 1h; | 78% |
- 5925-93-9
2-amino-5-methylbenzonitrile
| Conditions | Yield |
|---|---|
| With sodium carbonate In N,N-dimethyl-formamide at 125 - 135℃; for 2.5h; | 85% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 130℃; for 3h; | 80% |
| Conditions | Yield |
|---|---|
| In 1-methyl-pyrrolidin-2-one for 1.25h; Heating / reflux; | 60% |
- 75-16-1
methylmagnesium bromide
- 156149-46-1
2-azido-5-methylbenzonitrile
A
- 5925-93-9
2-amino-5-methylbenzonitrile
B
- 1262111-18-1
3,4-dihydro-4-imino-3,6-dimethyl-1,2,3-benzotriazine
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 1h; | A 34% B 49% |
- 13208-98-5
5-methylisatin-3-oxime
- 5925-93-9
2-amino-5-methylbenzonitrile
- 5925-93-9
2-amino-5-methylbenzonitrile
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 150893-79-1
N-(2-cyano-4-methyl-phenyl)-2,2,2-trifluoro-acetamide
- 5925-93-9
2-amino-5-methylbenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 20℃; for 12h; |
- 29289-13-2
2-iodo-4-methylaniline
- 5925-93-9
2-amino-5-methylbenzonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: dimethylformamide / 0.5 h / 20 °C 2: dimethylformamide / 0.5 h / 100 °C 3: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme |
2-Amino-5-methylbenzonitrile Specification
The Benzonitrile,2-amino-5-methyl- with the CAS number 5925-93-9 is also called 5-Methylanthranilonitrile. Both the systematic name and IUPAC name are 2-amino-5-methylbenzonitrile. Its molecular formula is C8H8N2. This chemical belongs to the following product categories: (1)C8 to C9; (2)Cyanides/Nitriles; (3)Nitrogen Compounds; (4)Aromatic.
The properties of the Benzonitrile,2-amino-5-methyl- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 27.03Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 39.56 cm3; (9)Molar Volume: 119.5 cm3; (10)Polarizability: 15.68×10-24cm3; (11)Surface Tension: 50.7 dyne/cm; (12)Enthalpy of Vaporization: 53.43 kJ/mol; (13)Vapour Pressure: 0.0016 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(ccc1N)C
(2)InChI: InChI=1/C8H8N2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,10H2,1H3
(3)InChIKey: OZLMBXPYRDASTP-UHFFFAOYAK
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