Cas no 1187-11-7 (acetylmalononitrile)
Acetylmalononitrile (CAS 6148-64-7) is a versatile nitrile compound with the molecular formula C5H4N2O. It features a reactive acetyl group adjacent to a malononitrile moiety, making it a valuable intermediate in organic synthesis. The compound is particularly useful in the preparation of heterocyclic compounds, pharmaceuticals, and agrochemicals due to its ability to undergo condensation, cyclization, and nucleophilic addition reactions. Its high reactivity and stability under controlled conditions make it suitable for fine chemical applications. Acetylmalononitrile is typically handled under inert conditions to prevent degradation, and its purity is critical for consistent performance in synthetic processes.
acetylmalononitrile structure
Product Name:acetylmalononitrile
CAS No:1187-11-7
MF:C5H4N2O
MW:108.09806060791
MDL:MFCD00129155
CID:895478
PubChem ID:24862010
Update Time:2025-05-27
acetylmalononitrile Chemical and Physical Properties
Names and Identifiers
-
- acetylmalononitrile
- 2-acetylpropanedinitrile
- acetylpropanedinitrile
- J-003874
- 1187-11-7
- CS-0441778
- InChI=1/C5H4N2O/c1-4(8)5(2-6)3-7/h5H,1H
- DTXSID30392662
- SCHEMBL6155982
- Propanedinitrile, acetyl-
- MFCD00129155
- Acetylmalononitrile, 98%
- AS-10008
- DB-318552
- 2-Acetylmalononitrile
- AKOS026730714
-
- MDL： MFCD00129155
- Inchi： 1S/C5H4N2O/c1-4(8)5(2-6)3-7/h5H,1H3
- InChI Key： FGRLXMNNTHBYKL-UHFFFAOYSA-N
- SMILES： O=C(C)C(C#N)C#N
Computed Properties
- Exact Mass: 108.03242
- Monoisotopic Mass: 108.032362755g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 173
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: -0.2
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 138-141?°C (lit.)
- PSA: 64.65
- Solubility: Not determined
acetylmalononitrile Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302 + H312-H315-H319-H335
- Warning Statement： P261-P280-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-37/39
-
Hazardous Material Identification：
acetylmalononitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 360945-5G |
acetylmalononitrile |
1187-11-7 | 98% | 5G |
￥1364.81 | 2022-02-24 | |
| TRC | A185873-50mg |
Acetylmalononitrile |
1187-11-7 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A185873-100mg |
Acetylmalononitrile |
1187-11-7 | 100mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A185873-500mg |
Acetylmalononitrile |
1187-11-7 | 500mg |
$ 160.00 | 2022-06-08 | ||
| abcr | AB496817-1 g |
Acetylmalononitrile, 98%; . |
1187-11-7 | 98% | 1g |
€196.50 | 2022-07-29 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-227213-5 g |
Acetylmalononitrile, |
1187-11-7 | ≥97% | 5g |
￥940.00 | 2023-07-11 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-227213-5g |
Acetylmalononitrile, |
1187-11-7 | ≥97% | 5g |
￥940.00 | 2023-09-05 | |
| abcr | AB496817-1g |
Acetylmalononitrile, 98%; . |
1187-11-7 | 98% | 1g |
€204.60 | 2024-08-02 | |
| 1PlusChem | 1P003O4M-1g |
Acetylmalononitrile |
1187-11-7 | 98% | 1g |
$93.00 | 2023-12-26 | |
| Ambeed | A591345-5g |
Acetylmalononitrile |
1187-11-7 | 97% | 5g |
$341.0 | 2024-04-25 |
acetylmalononitrile Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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