Cas no 898787-06-9 (2,3-dimethylbenzoylacetonitrile)
2,3-Dimethylbenzoylacetonitrile is a versatile organic intermediate with applications in pharmaceutical and agrochemical synthesis. Its structure, featuring both a benzoyl and acetonitrile moiety, enables its use in cyclization and condensation reactions, making it valuable for constructing heterocyclic compounds. The presence of methyl groups at the 2- and 3-positions enhances steric and electronic properties, influencing reactivity and selectivity in synthetic pathways. This compound is particularly useful in the preparation of fine chemicals and active pharmaceutical ingredients (APIs), where precise functionalization is critical. Its stability under standard conditions and compatibility with common reagents further contribute to its utility in organic synthesis.
898787-06-9 structure
Product Name:2,3-dimethylbenzoylacetonitrile
CAS No:898787-06-9
MF:C11H11NO
MW:173.211142778397
MDL:MFCD02260822
CID:706768
PubChem ID:24698784
Update Time:2025-10-19
2,3-dimethylbenzoylacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,2,3-dimethyl-b-oxo-
- 2,3-Dimethylbenzoylacetonitrile
- 3-(2,3-dimethylphenyl)-3-oxopropanenitrile
- 2,3-DIFLUORO-4'-PENTYL-1,1'-BIPHENYL
- 2,3-Dimethyl-beta-Oxo-Benzenepropanenitrile
- Z317041970
- CS-0257353
- SY191329
- DTXSID40640828
- FT-0604184
- MFCD02260822
- 898787-06-9
- EN300-67065
- AKOS000180458
- G22092
- 2,3-dimethylbenzoylacetonitrile
-
- MDL： MFCD02260822
- Inchi： 1S/C11H11NO/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5H,6H2,1-2H3
- InChI Key： AQALXBVPNRKQCI-UHFFFAOYSA-N
- SMILES： O=C(CC#N)C1C=CC=C(C)C=1C
Computed Properties
- Exact Mass: 173.08400
- Monoisotopic Mass: 173.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 238
- 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
- Topological Polar Surface Area: 40.9A^2
- XLogP3: 2.2
Experimental Properties
- Density: 1.06
- Boiling Point: 337.4°C at 760 mmHg
- Flash Point: 157.8°C
- Refractive Index: 1.53
- PSA: 40.86000
- LogP: 2.39978
2,3-dimethylbenzoylacetonitrile 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%
2,3-dimethylbenzoylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 207000-1g |
2,3-Dimethylbenzoylacetonitrile |
898787-06-9 | 97% | 1g |
￡277.00 | 2022-03-01 | |
| Fluorochem | 207000-2g |
2,3-Dimethylbenzoylacetonitrile |
898787-06-9 | 97% | 2g |
￡424.00 | 2022-03-01 | |
| Fluorochem | 207000-5g |
2,3-Dimethylbenzoylacetonitrile |
898787-06-9 | 97% | 5g |
￡862.00 | 2022-03-01 | |
| TRC | B431070-5mg |
2,3-dimethylbenzoylacetonitrile |
898787-06-9 | 5mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B431070-10mg |
2,3-dimethylbenzoylacetonitrile |
898787-06-9 | 10mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B431070-50mg |
2,3-dimethylbenzoylacetonitrile |
898787-06-9 | 50mg |
$ 95.00 | 2022-06-07 | ||
| abcr | AB367016-1 g |
2,3-Dimethylbenzoylacetonitrile; 97% |
898787-06-9 | 1g |
€457.50 | 2022-06-10 | ||
| abcr | AB367016-2 g |
2,3-Dimethylbenzoylacetonitrile; 97% |
898787-06-9 | 2g |
€675.10 | 2022-06-10 | ||
| abcr | AB367016-1g |
2,3-Dimethylbenzoylacetonitrile, 97%; . |
898787-06-9 | 97% | 1g |
€513.30 | 2025-04-15 | |
| abcr | AB367016-2g |
2,3-Dimethylbenzoylacetonitrile, 97%; . |
898787-06-9 | 97% | 2g |
€747.30 | 2025-04-15 |
2,3-dimethylbenzoylacetonitrile Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:898787-06-9)2,3-dimethylbenzoylacetonitrile
Order Number:A10754
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 18:57
Price ($):248.0
Email:[email protected]
2,3-dimethylbenzoylacetonitrile Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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- 614-16-4(3-oxo-3-phenyl-propanenitrile)
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:898787-06-9)2,3-dimethylbenzoylacetonitrile
Purity:99%
Quantity:5g
Price ($):248.0