Cas no 85702-70-1 (Benzonitrile,5-chloro-2-(methylamino)-)
Benzonitrile,5-chloro-2-(methylamino)- is a chlorinated aromatic nitrile compound featuring a methylamino substituent at the 2-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The presence of both electron-withdrawing (nitrile) and electron-donating (methylamino) groups enhances its versatility in cross-coupling reactions and nucleophilic substitutions. Its high purity and stability under standard conditions ensure consistent performance in research and industrial applications. The compound’s well-defined molecular framework also facilitates precise modifications, enabling tailored derivatives for specialized chemical processes. Suitable for controlled environments, it requires handling with appropriate safety measures due to its potential toxicity.
85702-70-1 structure
Product Name:Benzonitrile,5-chloro-2-(methylamino)-
CAS No:85702-70-1
MF:C8H7ClN2
MW:166.607580423355
CID:721958
Update Time:2025-10-16
Benzonitrile,5-chloro-2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,5-chloro-2-(methylamino)-
- 5-chloro-2-(methylamino)benzonitrile
- 5-Chloro-2-(methylamino)-benzonitrile
- 5-CHLORO-2-METHYLAMINO BENZONITRILE
- 2-methylamino-5-chlorobenzonitrile
- 5-chloro-N-methyl-anthranilonitrile
- EINECS 288-260-3
- 5-CHLORO-2-METHYLAMINOBENZONITRILE
- -Chloro-2-methylamino-benzonitrile
- Benzonitrile, 5-chloro-2-(methylamino)-
-
- MDL： MFCD02258850
- Inchi： 1S/C8H7ClN2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,11H,1H3
- InChI Key： UFOXVUGKBFWWMB-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC(Cl)=CC=C1NC
Computed Properties
- Exact Mass: 166.03000
- Monoisotopic Mass: 166.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- 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
Experimental Properties
- Density: 1.23
- Boiling Point: 310.8°C at 760 mmHg
- Flash Point: 141.8°C
- Refractive Index: 1.57
- PSA: 35.82000
- LogP: 2.32638
Benzonitrile,5-chloro-2-(methylamino)- 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%
Benzonitrile,5-chloro-2-(methylamino)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6772408-0.05g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 0.05g |
$395.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-0.1g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 0.1g |
$414.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-0.25g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 0.25g |
$432.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-0.5g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 0.5g |
$451.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-1.0g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 1g |
$470.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-2.5g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 2.5g |
$923.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-5.0g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 5g |
$1364.0 | 2023-05-24 | ||
| Enamine | EN300-6772408-10.0g |
5-chloro-2-(methylamino)benzonitrile |
85702-70-1 | 10g |
$2024.0 | 2023-05-24 |
Benzonitrile,5-chloro-2-(methylamino)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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