- Imidazole Hydrochloride Promoted Synthesis of Nitriles from AldehydesWang, Yin; Wang, Xuetong; Li, Yanwu; Zhang, Xiuyu; Li, Lingli; et al, Current Organic Synthesis, 2022, 19(8), 923-929
Cas no 97165-77-0 (3,5-Dibromobenzonitrile)
3,5-Dibromobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dibromobenzonitrile
- Benzonitrile,3,5-dibromo-
- Benzonitrile, 3,5-dibromo-
- 3,5-dibromobenzenecarbonitrile
- PubChem3862
- Maybridge1_007794
- 3,5-dibromo-benzonitrile
- KSC493G8P
- HMS563K06
- QUJGDNCWTBTBQD-UHFFFAOYSA-N
- WT1562
- SBB055510
- RW3563
- TD1139
- OR29247
- FCH1322250
- AS02391
- BC002644
- AX8023288
- T
- 3,5-Dibromobenzonitrile (ACI)
- CS-W021811
- EN300-221297
- MFCD00178770
- SY032188
- DTXCID50334968
- AKOS005259306
- PS-7363
- 97165-77-0
- SCHEMBL200313
- AC-28542
- Z1269138219
- D5049
- DB-017581
- DTXSID80383944
-
- MDL: MFCD00178770
- Inchi: 1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
- InChI Key: QUJGDNCWTBTBQD-UHFFFAOYSA-N
- SMILES: N#CC1C=C(Br)C=C(Br)C=1
Computed Properties
- Exact Mass: 258.86300
- Monoisotopic Mass: 258.863
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 150
- 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: 23.8
- XLogP3: 3
Experimental Properties
- Color/Form: No data available
- Density: 2.06
- Melting Point: 98.0 to 102.0 deg-C
- Boiling Point: 261.2±20.0 °C at 760 mmHg
- Flash Point: 111.8±21.8 °C
- Refractive Index: 1.662
- PSA: 23.79000
- LogP: 3.08328
3,5-Dibromobenzonitrile Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:warning
- Hazard Statement: H301+H311+H331-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- Hazardous Material transportation number:UN 3276
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26; S36/37/39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- PackingGroup:III
- Risk Phrases:R20/21/22
- Storage Condition:Store at 4°C,-4At ℃Store…Better
3,5-Dibromobenzonitrile 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%
3,5-Dibromobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 024164-5g |
3,5-Dibromobenzonitrile |
97165-77-0 | 97% | 5g |
£14.00 | 2022-02-28 | |
| Fluorochem | 024164-25g |
3,5-Dibromobenzonitrile |
97165-77-0 | 97% | 25g |
£54.00 | 2022-02-28 | |
| Fluorochem | 024164-100g |
3,5-Dibromobenzonitrile |
97165-77-0 | 97% | 100g |
£194.00 | 2022-02-28 | |
| Chemenu | CM157358-100g |
3,5-Dibromobenzonitrile |
97165-77-0 | 95+% | 100g |
$206 | 2021-06-17 | |
| BAI LING WEI Technology Co., Ltd. | 115558-5G |
3,5-Dibromobenzonitrile, 98% |
97165-77-0 | 98% | 5G |
¥ 333 | 2022-04-26 | |
| BAI LING WEI Technology Co., Ltd. | 115558-25G |
3,5-Dibromobenzonitrile, 98% |
97165-77-0 | 98% | 25G |
¥ 1359 | 2022-04-26 | |
| TRC | D426018-100mg |
3,5-Dibromobenzonitrile |
97165-77-0 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D426018-1g |
3,5-Dibromobenzonitrile |
97165-77-0 | 1g |
$ 60.00 | 2022-06-05 | ||
| TRC | D426018-5g |
3,5-Dibromobenzonitrile |
97165-77-0 | 5g |
$ 70.00 | 2022-06-05 | ||
| TRC | D426018-10g |
3,5-Dibromobenzonitrile |
97165-77-0 | 10g |
$115.00 | 2023-05-18 |
3,5-Dibromobenzonitrile Production Method
Production Method 1
Production Method 2
- Atomically Dispersed Ru on Manganese Oxide Catalyst Boosts Oxidative CyanationWang, Hai; Xu, Dongyang; Guan, Erjia ; Wang, Liang ; Zhang, Jian; et al, ACS Catalysis, 2020, 10(11), 6299-6308
Production Method 3
- Green synthesis of nitriles using non-noble metal oxides-based nanocatalystsJagadeesh, Rajenahally V.; Junge, Henrik; Beller, Matthias, Nature Communications, 2014, 5,
Production Method 4
- Method for synthesis of nitriles by ammoxidation of aromatic alcohols using metal-free sulfonated boron nitride as catalyst, India, , ,
Production Method 5
- Halogenation of benzene derivatives with electron-acceptor substituents under conditions generating electrophilic chlorine and bromineSadiqov, O. A., Kimya Problemlari, 2009, (4), 676-679
3,5-Dibromobenzonitrile Raw materials
3,5-Dibromobenzonitrile Preparation Products
3,5-Dibromobenzonitrile Suppliers
3,5-Dibromobenzonitrile Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 3,5-Dibromobenzonitrile
Recent Advances in the Study of 3,5-Dibromobenzonitrile (CAS: 97165-77-0) in Chemical Biology and Pharmaceutical Research
3,5-Dibromobenzonitrile (CAS: 97165-77-0) is a halogenated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its bromine substituents and nitrile functional group, serves as a key intermediate in the synthesis of various bioactive molecules. Recent studies have explored its potential in drug discovery, material science, and agrochemical development, highlighting its importance in modern chemical research.
One of the most notable advancements in the study of 3,5-Dibromobenzonitrile is its role as a building block for the synthesis of kinase inhibitors. Kinases are critical targets in cancer therapy, and the ability to modulate their activity with high specificity is a major focus of current research. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 3,5-Dibromobenzonitrile exhibit potent inhibitory effects against a subset of tyrosine kinases, suggesting their potential as lead compounds for anticancer drug development. The study utilized molecular docking and in vitro assays to validate the binding affinity and selectivity of these derivatives.
In addition to its pharmaceutical applications, 3,5-Dibromobenzonitrile has also been investigated for its utility in material science. Researchers have employed this compound as a precursor for the synthesis of organic semiconductors and liquid crystals. A recent publication in Advanced Materials (2024) reported the successful incorporation of 3,5-Dibromobenzonitrile into π-conjugated systems, resulting in materials with enhanced electronic properties. These findings open new avenues for the development of next-generation optoelectronic devices.
The environmental and safety aspects of 3,5-Dibromobenzonitrile have also been a subject of scrutiny. A 2023 toxicological study evaluated the compound's ecotoxicological profile, revealing moderate toxicity to aquatic organisms. These findings underscore the need for careful handling and disposal of this chemical in industrial and laboratory settings. Regulatory agencies are currently reviewing these data to update safety guidelines for halogenated benzonitrile derivatives.
Looking ahead, the versatility of 3,5-Dibromobenzonitrile continues to inspire innovative research. Ongoing studies are exploring its potential in agrochemicals, where it may serve as a scaffold for novel herbicides and fungicides. Furthermore, computational approaches are being leveraged to design new derivatives with improved bioactivity and reduced environmental impact. As the field progresses, 3,5-Dibromobenzonitrile is expected to remain a cornerstone in the intersection of chemical biology and pharmaceutical innovation.
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