- Flavin-catalyzed oxidation of amines and sulfides with molecular oxygen: biomimetic green oxidationImada, Yasushi; Iida, Hiroki; Ono, Satoshi; Masui, Yoshiyuki; Murahashi, Shun-Ichi, Chemistry - An Asian Journal, 2006, 1(1-2), 136-147
Cas no 89642-49-9 (4-Bromo-3-nitrobenzonitrile)
4-Bromo-3-nitrobenzonitrile structure
Product Name:4-Bromo-3-nitrobenzonitrile
CAS No:89642-49-9
MF:C7H3BrN2O2
MW:227.014920473099
MDL:MFCD00982006
CID:91001
PubChem ID:3926861
Update Time:2024-10-26
4-Bromo-3-nitrobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3-nitrobenzonitrile
- 3-nitro-4-broMobenzonitrile
- Benzonitrile, 4-bromo-3-nitro-
- 2-Bromo-5-cyanonitrobenzene
- PubChem4722
- KSC663G4J
- Benzonitrile,4-bromo-3-nitro-
- FXRMUJPWDOLCLX-UHFFFAOYSA-N
- FCH135647
- 4-bromanyl-3-nitro-benzenecarbonitrile
- CM12987
- AS05809
- VZ28544
- TRA0079001
- AM61698
- OR61310
- BC002821
- SY006
- 4-Bromo-3-nitrobenzonitrile (ACI)
- DS-13412
- 4-Bromo-3-nitrobenzonitrile, 97%
- SCHEMBL395771
- J-514750
- DB-081688
- 89642-49-9
- EN300-301481
- AKOS008968197
- A843269
- MFCD00982006
- DTXSID70398007
- CS-0041914
- SY006703
- B4708
-
- MDL： MFCD00982006
- Inchi： 1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
- InChI Key： FXRMUJPWDOLCLX-UHFFFAOYSA-N
- SMILES： N#CC1C=C([N+](=O)[O-])C(Br)=CC=1
Computed Properties
- Exact Mass: 225.93800
- Monoisotopic Mass: 225.938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 229
- 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: 69.6
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
Experimental Properties
- Density: 1.81
- Melting Point: 119.0 to 123.0 deg-C
- Boiling Point: 269 oC
- Flash Point: 116 oC
- Refractive Index: 1.638
- PSA: 69.61000
- LogP: 2.75218
4-Bromo-3-nitrobenzonitrile Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H302+H312+H332-H315-H319
- Warning Statement： P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Storage Condition：0-10°C
4-Bromo-3-nitrobenzonitrile 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%
4-Bromo-3-nitrobenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM158348-25g |
4-bromo-3-nitrobenzonitrile |
89642-49-9 | 95+% | 25g |
$122 | 2021-06-17 | |
| Chemenu | CM158348-100g |
4-bromo-3-nitrobenzonitrile |
89642-49-9 | 95+% | 100g |
$299 | 2021-06-17 | |
| Fluorochem | 092714-1g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 98% | 1g |
￡11.00 | 2022-03-01 | |
| Fluorochem | 092714-10g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 98% | 10g |
￡43.00 | 2022-03-01 | |
| Fluorochem | 092714-25g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 98% | 25g |
￡86.00 | 2022-03-01 | |
| Ambeed | A296352-250mg |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 97% | 250mg |
$5.0 | 2024-04-16 | |
| Ambeed | A296352-1g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 97% | 1g |
$11.0 | 2025-04-15 | |
| Ambeed | A296352-5g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 97% | 5g |
$22.0 | 2025-04-15 | |
| Ambeed | A296352-10g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 97% | 10g |
$30.0 | 2025-04-15 | |
| Ambeed | A296352-25g |
4-Bromo-3-nitrobenzonitrile |
89642-49-9 | 97% | 25g |
$45.0 | 2025-04-15 |
4-Bromo-3-nitrobenzonitrile Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sulfuric acid , Nitric acid Solvents: Water ; 15 min, 0 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Nitric acid
Reference
- Mononitrohalobenzene with labile halogenBorsche, W.; Stackmann, L.; Makaroff, J., Berichte der Deutschen Chemischen Gesellschaft, 1916, 49, 2222-43
Production Method 3
Reaction Conditions
1.1 Reagents: Sulfuric acid , Nitric acid Solvents: Water ; cooled; rt; 2 h, rt
Reference
- Selection and optimization of hits from a high-throughput phenotypic screen against Trypanosoma cruziKeenan, Martine; Alexander, Paul W.; Chaplin, Jason H.; Abbott, Michael J.; Diao, Hugo; et al, Future Medicinal Chemistry, 2013, 5(15), 1733-1752
4-Bromo-3-nitrobenzonitrile Raw materials
4-Bromo-3-nitrobenzonitrile Preparation Products
4-Bromo-3-nitrobenzonitrile Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
89642-49-9 (4-Bromo-3-nitrobenzonitrile) Related Products
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- 17601-94-4(2-Amino-3-bromo-5-nitrobenzonitrile)
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- 90434-14-3(2-Bromo-1,5-dimethyl-3-nitrobenzene)
- 1239720-33-2(4-Amino-3-bromo-5-nitrobenzonitrile)
- 49674-15-9(3-Bromo-5-nitrobenzonitrile)
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