Cas no 79603-03-5 (4-Bromo-2-nitrobenzonitrile)

4-Bromo-2-nitrobenzonitrile structure

Product Name:4-Bromo-2-nitrobenzonitrile

CAS No:79603-03-5

MF:C₇H₃BrN₂O₂

MW:227.014920473099

MDL:MFCD00087225

CID:566029

PubChem ID:292535

Update Time:2024-10-27

4-Bromo-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

- 4-Bromo-2-nitrobenzonitrile
- Benzonitrile, 4-bromo-2-nitro-
- NSC 158356
- 4-BROMO-2-NITRO-BENZONITRILE
- 4-BROMO-1-CYANO-2-NITROBENZENE
- NSC158356
- PubChem17765
- 2-cyano-5-bromonitrobenzene
- KSC646S4F
- IOBYLOUUUJPZEO-UHFFFAOYSA-N
- CL8207
- WT1517
- 4-bromanyl-2-nitro-benzenecarbonitrile
- RP27684
- FCH1329863
- AM82840
- TCMDC-143609
- MFCD00087225
- A839721
- DTXSID60303443
- FT-0738564
- SB38810
- Z1269110754
- 79603-03-5
- EN300-104040
- CHEMBL3431415
- J-514686
- SCHEMBL2330159
- AKOS015835491
- CS-W006045
- NSC-158356
- GS-4336
- 4-Bromo-2-nitrobenzonitrile (ACI)
- DTXCID90254575
- MDL： MFCD00087225
- Inchi： 1S/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
- InChI Key： IOBYLOUUUJPZEO-UHFFFAOYSA-N
- SMILES： N#CC1C([N+](=O)[O-])=CC(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
XLogP3: 1.7
Topological Polar Surface Area: 69.6

Experimental Properties

Color/Form: No data avaiable
Density: 1.81±0.1 g/cm3 (20 oC 760 Torr),
Melting Point: 98-99 oC
Boiling Point: 335.2±27.0 °C at 760 mmHg
Flash Point: 156.5±23.7 °C
Refractive Index: 1.638
Solubility: Very slightly soluble (0.21 g/l) (25 o C),
PSA: 69.61000
LogP: 2.75218
Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-Bromo-2-nitrobenzonitrile Security Information

Signal Word：warning
Hazard Statement： H303+H313+H333
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：Store at 4 ° C, -4 ° C is better

4-Bromo-2-nitrobenzonitrile Customs Data

HS CODE：2926909090
Customs Data：

China Customs Code:
2926909090

Overview:

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-2-nitrobenzonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	077492-25g	4-Bromo-2-nitrobenzonitrile	79603-03-5	95%	25g	￡402.00	2022-03-01
TRC	B685888-100mg	4-bromo-2-nitrobenzonitrile	79603-03-5		100mg	$ 64.00	2023-04-18
TRC	B685888-250mg	4-bromo-2-nitrobenzonitrile	79603-03-5		250mg	$ 75.00	2023-04-18
TRC	B685888-500mg	4-bromo-2-nitrobenzonitrile	79603-03-5		500mg	$ 87.00	2023-04-18
TRC	B685888-1g	4-bromo-2-nitrobenzonitrile	79603-03-5		1g	$ 80.00	2022-06-06
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B841819-5g	4-Bromo-2-nitrobenzonitrile	79603-03-5	95%	5g	933.00	2021-05-17
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	05R0379-1g	4-Bromo-2-nitro-benzonitrile	79603-03-5	97%	1g	254.41CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	05R0379-5g	4-Bromo-2-nitro-benzonitrile	79603-03-5	97%	5g	763.24CNY	2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	05R0379-25g	4-Bromo-2-nitro-benzonitrile	79603-03-5	97%	25g	3052.95CNY	2021-05-08
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B918036-250mg	4-Bromo-2-nitrobenzonitrile	79603-03-5	98%	250mg	￥178.20	2022-09-02

4-Bromo-2-nitrobenzonitrile Production Method

Production Method 1

304858-65-9

79603-03-5

Reaction Conditions

1.1 Reagents: Trifluoroacetic acid ; 10 min, 0 °C
1.2 Reagents: Hydrogen peroxide Solvents: Water ; 0.5 h, rt; 2 h, 50 °C

Reference

Synthesis and Dual D2 and 5-HT1A Receptor Binding Affinities of 7-piperazinyl and 7-piperidinyl-3,4-dihydroquinazolin-2(1H)-ones

Ullah, Nisar, Medicinal Chemistry (Sharjah, 2014, 10(5), 484-496

4-Bromo-2-nitrobenzonitrile Raw materials

2-Amino-4-bromobenzonitrile

4-Bromo-2-nitrobenzonitrile Preparation Products

4-Bromo-2-nitrobenzonitrile (79603-03-5)

4-Bromo-2-nitrobenzonitrile Related Literature

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Cas no 79603-03-5 (4-Bromo-2-nitrobenzonitrile)

4-Bromo-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

4-Bromo-2-nitrobenzonitrile Security Information

4-Bromo-2-nitrobenzonitrile Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

4-Bromo-2-nitrobenzonitrile Pricemore >>

4-Bromo-2-nitrobenzonitrile Production Method

Production Method 1

4-Bromo-2-nitrobenzonitrile Raw materials

4-Bromo-2-nitrobenzonitrile Preparation Products

4-Bromo-2-nitrobenzonitrile Related Literature

Related Categories

79603-03-5 (4-Bromo-2-nitrobenzonitrile) Related Products