Cas no 2315-84-6 (Benzonitrile,4-(acetyloxy)-3,5-dibromo-)
2315-84-6 structure
Product Name:Benzonitrile,4-(acetyloxy)-3,5-dibromo-
CAS No:2315-84-6
MF:C9H5Br2NO2
MW:318.949500799179
CID:267260
PubChem ID:75340
Update Time:2025-04-19
Benzonitrile,4-(acetyloxy)-3,5-dibromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4-(acetyloxy)-3,5-dibromo-
- (2,6-dibromo-4-cyanophenyl) acetate
- 3,5-DIBROMO-4-ACETOXYBENZONITRILE
- 2,6-dibromo-4-cyanophenyl acetate
- 4-Acetoxy-3,5-dibromobenzonitrile
- NS00027368
- DTXSID30177734
- Benzonitrile, 3,5-dibromo-4-hydroxy-, acetate
- UQA468G6VT
- Benzonitrile, 4-(acetyloxy)-3,5-dibromo-
- 4-Acetyloxy-3,5-dibromobenzonitrile
- 4-(Acetyloxy)-3,5-dibromobenzonitrile
- EINECS 219-021-3
- 2315-84-6
- (2, 6-dibromo-4-cyanophenyl) acetate
- SCHEMBL23621178
-
- Inchi： 1S/C9H5Br2NO2/c1-5(13)14-9-7(10)2-6(4-12)3-8(9)11/h2-3H,1H3
- InChI Key： FZCAJMPJPVJNPB-UHFFFAOYSA-N
- SMILES： BrC1C=C(C#N)C=C(C=1OC(C)=O)Br
Computed Properties
- Exact Mass: 316.86865
- Monoisotopic Mass: 316.869
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 261
- 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: 50.1A^2
- XLogP3: 2.8
Experimental Properties
- Density: 1.96
- Boiling Point: 347.4°Cat760mmHg
- Flash Point: 163.9°C
- Refractive Index: 1.632
- PSA: 50.09
Benzonitrile,4-(acetyloxy)-3,5-dibromo- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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