- Nitration of m-tolunitrile and identification of the productsShi, Zhi-hao; Wei, Yun-yang; Qin, Tao; Mu, Fei-hu, Jingxi Huagong, 2005, 22(9), 699-701
Cas no 64113-86-6 (5-Methyl-2-nitrobenzonitrile)
5-Methyl-2-nitrobenzonitrile structure
Product Name:5-Methyl-2-nitrobenzonitrile
CAS No:64113-86-6
MF:C8H6N2O2
MW:162.145441532135
MDL:MFCD00267507
CID:500088
PubChem ID:560743
Update Time:2025-04-19
5-Methyl-2-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Methyl-2-nitrobenzonitrile
- Benzonitrile,5-methyl-2-nitro-
- 2-Nitro-5-methylbenzaldehyde
- 2-nitro-5-methylbenzonitrile
- 3-Cyano-4-nitrotoluol
- 3-formyl-p-nitrotoluene
- 3-methyl-6-nitrobenzaldehyde
- 3-methyl-6-nitrobenzonitrile
- 5-Methyl-2-nitro-benzaldehyd
- 5-methyl-2-nitro-benzaldehyde
- 5-Methyl-2-nitro-benzonitril
- 5-methyl-2-nitro-benzonitrile
- 6-Nitro-m-toluylaldehyd
- Benzaldehyde,5-methyl-2-nitro
- 6-Nitro-m-tolunitrile
- Benzonitrile, 5-methyl-2-nitro-
- USQNWFKYQFQGLB-UHFFFAOYSA-N
- 2-Cyano-4-methylnitrobenzene
- KSC495A3R
- 5-Methyl-2-nitrobenzonitrile #
- CL8230
- RP22490
- ST2412091
- MFCD00267507
- AKOS006274208
- CS-0043876
- 64686-33-5
- DS-0901
- DTXSID60983305
- J-517761
- CHLORAMINEB
- SY107554
- FT-0770198
- SCHEMBL1343668
- 64113-86-6
- AC-26102
- DB-073441
-
- MDL： MFCD00267507
- Inchi： 1S/C8H6N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,1H3
- InChI Key： USQNWFKYQFQGLB-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(C)=CC=1C#N)=O
Computed Properties
- Exact Mass: 162.04300
- Monoisotopic Mass: 162.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 69.6
Experimental Properties
- Density: 1.26
- Boiling Point: 338.9°C at 760 mmHg
- Flash Point: 158.8°C
- Refractive Index: 1.568
- PSA: 69.61000
- LogP: 2.29808
5-Methyl-2-nitrobenzonitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
5-Methyl-2-nitrobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 078012-250mg |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 250mg |
￡11.00 | 2022-03-01 | |
| Fluorochem | 078012-1g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 1g |
￡25.00 | 2022-03-01 | |
| Fluorochem | 078012-5g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 5g |
￡70.00 | 2022-03-01 | |
| Fluorochem | 078012-10g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 10g |
￡106.00 | 2022-03-01 | |
| Chemenu | CM160735-10g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 10g |
$131 | 2021-06-16 | |
| Chemenu | CM160735-25g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95% | 25g |
$239 | 2021-06-16 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RI122-200mg |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 95+% | 200mg |
64.0CNY | 2021-08-05 | |
| TRC | M341270-250mg |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 250mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M341270-500mg |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 500mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M341270-2.5g |
5-Methyl-2-nitrobenzonitrile |
64113-86-6 | 2.5g |
$ 230.00 | 2022-06-03 |
5-Methyl-2-nitrobenzonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Nitric acid ; < 10 °C; 1 h, < 10 °C → rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Ozone , Nitrogen dioxide Solvents: Acetonitrile ; 3 h, -10 °C
Reference
- Nitration of moderately deactivated arenes with nitrogen dioxide and molecular oxygen under neutral conditions. Zeolite-induced enhancement of regioselectivity and reversal of isomer ratiosPeng, Xinhua; Fukui, Naoyuki; Mizuta, Masayuki; Suzuki, Hitomi, Organic & Biomolecular Chemistry, 2003, 1(13), 2326-2335
5-Methyl-2-nitrobenzonitrile Preparation Products
5-Methyl-2-nitrobenzonitrile Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
64113-86-6 (5-Methyl-2-nitrobenzonitrile) Related Products
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- 612-24-8(2-Nitrobenzonitrile)
- 35213-00-4(2,6-Dinitrobenzonitrile)
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- 20033-48-1(1,3-Benzenedicarbonitrile, 2-amino-5-nitro-)
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