Benzonitrile, 3-bromo-2-fluoro- (9CI)
-
Benzonitrile, 3-bromo-2-fluoro- (9CI)
structure -
-
CAS No:
840481-82-5
-
Formula:
C7H3BrFN
-
Chemical Name:
Benzonitrile, 3-bromo-2-fluoro- (9CI)
-
Synonyms:
Benzonitrile, 3-bromo-2-fluoro- (9CI);3-BROMO-2-FLUOROBENZONITRILE 96%;KaiXinTianRui Technology Development Co., Ltd;3-Bromo-2-fluorobenzonitrile;1-Bromo-3-cyano-2-fluorobenzene;Benzonitrile, 3-broMo-2-fluoro-
- Categories:
-
CAS No:
Benzonitrile, 3-bromo-2-fluoro- (9CI) Basic Attributes
200.0078232
198.943283
DTXSID90375618
2926909090
Safety Information
Ⅲ
IRRITANT
3439
Xi
P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzonitrile, 3-bromo-2-fluoro- (9CI) Use and Manufacturing
To a N, N-dimethylformamide solution (10 mL) of 3-bromo-2- fluorobenzamide (867 mg) was added cyanuric chloride (806 mg) under ice-cooling, and the mixture was stirred overnight at room temperature. The mixture was diluted with ethyl acetate, and the organic layer was washed with water and saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. Purification by silica gel column chromatography (hexane: ethyl acetate = 1:0 - 1:1) gave the title compound (760 mg, yield 96percent) as colorless crystals. A mixture of 3-bromo-2-fluorobenzamide (2-80, 260 mg, 1.2 mmol), TFAA (471 mg, 2.4 mmol) and pyridine (Py) (474 mg, 6.0 mmol) in dioxane (5 mL) was stirred at r.t for 4 h. Upon reaction completion, the resulting mixture was washed with water and extracted with ethyl acetate (150 mL x 3). The combined organic phases were concentrated under reduced pressure and the resulting residue was purified via silica gel chromatography (Pet Ether/ethyl acetate = 1/1) to obtain intermediate 2-81 (white solid, 100 mg, 42percent yield).
Computed Properties
Molecular Weight:200.01
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:198.94329
Monoisotopic Mass:198.94329
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Benzonitrile, 3-bromo-2-fluoro- (9CI)
-
![China]()
CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
![China]()
CN
5 YRS
Business licensedTrader Supplier of PVC resin,pvc paste resin,melamine -
![China]()
CN
3 YRS
Business licensedTrader Supplier of Amino acid,intermediates
Learn More Other Chemicals
-
Cyclopentanamine, 2-(3,5-difluorophenyl)-, (1R,2R)-rel- (9CI)
344463-37-2
-
1-Cyclohexene-1,2-dicarbonyl dichloride (9CI)
343868-29-1
-
1-Cyclohexene-1-carboxylic acid, 4-(1-hydroxyethyl)- (9CI)
42569-41-5
-
Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, ethyl ester, (1alpha,3R,4alpha,5R)- (9CI) Formula
463325-95-3
-
5-Cyclohexene-1,2,3,4-tetrol, (1R,2R,3S,4S)- (9CI) Formula
351885-25-1
-
3-Cyclopentene-1,2-diol, 3-(aminomethyl)-5-methoxy-, (1R,2R,5R)-rel- (9CI) Formula
738572-47-9
-
2-Cyclobuten-1-ol, 1-ethynyl-4-methoxy-4-methyl-, cis- (9CI) Structure
155190-60-6
-
Cyclopentaneacetic acid, 3-amino-3-carboxy-, trans- (9CI) Structure
194785-81-4
-
What is Cyclobutanecarboxylic acid, 2,3-bis(hydroxymethyl)- (9CI)
150521-41-8
-
What is Cyclobutanecarbonitrile, 1-(dimethylamino)- (9CI)
176445-74-2
Benzonitrile, 3-bromo-2-fluoro- (9CI)
SDSRequest for Quotation