| Identification | More | [Name]
5-Bromo-2-fluorobenzonitrile | [CAS]
179897-89-3 | [Synonyms]
2-Fluoro-5-bromobenzonitrile
5-BROMO-2-FLUOROBENZONITRILE
5-Bromo-2-fluorobenzonitrile 98%
5-Bromo-2-fluorobenzonitrile98% | [Molecular Formula]
C7H3BrFN | [MDL Number]
MFCD00143424 | [Molecular Weight]
200.01 | [MOL File]
179897-89-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white powder or crystals | [Melting point ]
76-81 °C
| [Boiling point ]
220.4±20.0 °C(Predicted) | [density ]
1.7286 (rough estimate) | [refractive index ]
1.5320 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Light yellow to Light orange | [Detection Methods]
GC,NMR | [BRN ]
7701063 | [InChI]
InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H | [InChIKey]
GYCNHFWRPJXTSB-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC(Br)=CC=C1F | [CAS DataBase Reference]
179897-89-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H315-H319-H335 | [Precautionary statements ]
P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xn,T,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
S36:Wear suitable protective clothing . | [RIDADR ]
3439 | [WGK Germany ]
3 | [Hazard Note ]
Toxic | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white powder or crystals | [Uses]
5-Bromo-2-fluorobenzonitrile may be used for the preparation of the following compounds:
- (E)-5-(2-cyclopropylvinyl)-2-fluorobenzonitrile and methyl-3-amino-5-bromobenzo[b]thiophene-2-carboxylate
- (S)-[2-[5-(3-cyano-4-fluoro-phenyl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester
- 4-fluoro-3-cyano-3′-tributyltinbenzhydrol
- 4-fluoro-3-cyano-3′-iodobenzhydrol
| [Synthesis]
5-Bromo-2-fluorobenzonitrile is the key intermediate of the synthetic antigout drug Febuxostat. The synthesis method comprises the following steps: reacting o-fluorobenzoyl chloride with ammonia water to obtain o-fluorobenzamide; then generating o-fluorobenzonitrile under the action of a dehydration reagent; and finally, in 75-90% sulfuric acid, brominating with dibromohydantoin to obtain 5-bromo-2-fluorobenzonitrile. The synthesis method is simple and easy to implement, mild in conditions, low in production cost, and causes no wastewater discharge. |
|
| Company Name: |
CE Pharm Co.,Ltd Gold
|
| Telephone: |
15317222985 |
| Website: |
www.cepharm.cn/ |
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|