4-Fluoro-3-nitrobenzoic acid
-
4-Fluoro-3-nitrobenzoic acid
structure -
-
CAS No:
453-71-4
-
Formula:
C7H4FNO4
-
Chemical Name:
4-Fluoro-3-nitrobenzoic acid
-
Synonyms:
Benzoic acid,4-fluoro-3-nitro-;4-Fluoro-3-nitrobenzoic acid;4-Carboxy-2-nitrofluorobenzene;NSC 10311;3-Nitro-4-fluorobenzoic acid
- Categories:
-
CAS No:
4-Fluoro-3-nitrobenzoic acid Basic Attributes
185.11
185.11
207-221-3
10311
DTXSID30196465
2916399090
Characteristics
83.1
1.9
white-yellow powder
1.6±0.1 g/cm3
121-122 °C
356.9°C at 760 mmHg
169.6±23.7 °C
1.588
insoluble
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
1.03E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
2
R22;R36/37/38
S26-S36-S24/25
Xn:Harmful;
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H302-H315-H319-H335
4-Fluoro-3-nitrobenzoic acid Use and Manufacturing
To a cold solution of 4-fluorobenzoic acid (50.0 g, 0.36 mol, 1.0 equiv) in concentrated HTo a solution of 4-fluoro-benzoic acid (5.0 g, 36 mmol) in conc. HA stirred solution of 4-fluoro-3-nitrobenzonitrile (1.00 g, 6.02 mmol) in 70percent H2S04 (12 mL) was heated in a sealed tube at 120°C for 8 h. The reaction mixture waspoured into ice-cold H20 (100 mL) and extracted with EtOAc (2 x 100 mL). The organic layer was washed with H20 (100 mL) and brine (100 mL), then separated, dried over anhydrous Na2SO4 and concentrated in vacuo. The crude residue was purified by crystallisation with DCM:hexanes (1:10, 100 mL) to afford the title compound (0.58 g, 52percent) as an off-white solid. OH (400 MHz, DMSO-d6) 7.64-7.74 (m, 1H), 8.24-8.36 (m, 1H), 8.53-8.60 (m, 1H), 13.77 (br s, 1H).
Computed Properties
Molecular Weight:185.11
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:185.01243577
Monoisotopic Mass:185.01243577
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 4-Fluoro-3-nitrobenzoic acid
-
![Georgia]()
GE
1 YR
Business licensedDistributor Supplier of Ethanol,Retatrutide,SLES,Tirzepatide,GHK-CU,Semaglutide,Glutathione,Mots-CInquiryUnit Price: $8 /MT FOBCAS No.: 453-71-4Grade: Industrial GradeContent: 90% -
![China]()
CN
4 YRS
Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 453-71-4Grade: Industrial GradeContent: 99% -
![China]()
CN
5 YRS
Business licensedTrader Supplier of PVC resin,pvc paste resin,melamineInquiryCAS No.: 453-71-4Grade: Industrial GradeContent: 99% -
![United Kingdom]()
GB
3 YRS
Business licensedDistributor Supplier of Phosphoric Acid,Caustic Soda,Urea 46,Soda Ash,Chlorine,AcetateInquiryCAS No.: 453-71-4Grade: Industrial GradeContent: 99% -
![China]()
CN
2 YRS
Business licensed Certified factoryManufactory Supplier of AEEA-AEEA,Fmoc-AEEA,Fmoc-Lys(Alloc)-OH
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8