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| CAS No.: | 122590-77-6 |
|---|---|
| Name: | 4-AZIDO-2,3,5,6-TETRAFLUOROBENZOIC ACID |
| Article Data: | 22 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7HF4N3O2 |
| Molecular Weight: | 235.097 |
| Synonyms: | 4-Azido-2,3,5,6-tetrafluorobenzoicacid;2,3,5,6-Tetrafluoro-4-azidobenzoic acid; |
| Melting Point: | 140-141 °C |
| Appearance: | Colourless solid |
| Hazard Symbols: | F,Xi |
| Risk Codes: | 11-36/37/38 |
| Safety: | 26 |
| PSA: | 87.05000 |
| LogP: | 2.33576 |
- 12259-21-1Iron oxide (Fe2O3),hydrate
- 122-59-8Aceticacid, 2-phenoxy-
- 122-60-1Oxirane,2-(phenoxymethyl)-
- 12260-45-6Cesium hydroxide(Cs(OH)), hydrate (9CI)
- 1226056-71-8Thiazovivin
- 12260-67-2Ferrocene,(1-cyclopenten-1-yl)- (8CI,9CI)
- 122-62-3Decanedioic acid,1,10-bis(2-ethylhexyl) ester
- 12262-32-7C.I. Leuco SulphurGreen 2 (8CI,9CI)
- 122624-73-1(1R,4S)-rel-4-[(2-Amino-6-chloro-4-pyrimidinyl)amino]-2- cyclopentene-1-methanol
- 122624-75-3(1R,4S)-rel-4-[[2-Amino-6-chloro-5-[(4-chlorophenyl)azo]-4-pyrimidinyl]amino]-2- cyclopentene-1-methanol
- 122590-75-4
methyl 4-azidotetrafluorobenzoate
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water at 25℃; | 98% |
| With sodium hydroxide In methanol at 25℃; Hydrolysis; | 98% |
| With water; sodium hydroxide In methanol at 20℃; for 25h; | 96% |
- 944-43-4
4-amino-2,3,5,6-tetrafluorobenzoic acid
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 4-amino-2,3,5,6-tetrafluorobenzoic acid With sodium nitrite In trifluoroacetic acid for 1h; Stage #2: With sodium azide In diethyl ether for 2h; Further stages.; | 95% |
| Stage #1: 4-amino-2,3,5,6-tetrafluorobenzoic acid With sulfuric acid; sodium nitrite In water at 0℃; for 0.666667h; Stage #2: With sodium azide In water at 20℃; for 1h; | 80% |
| With sodium azide; sodium nitrite 1.) TFA, 0 deg C, 0.5 h; 2.) Et2O, 1 h; Yield given. Multistep reaction; | |
| Stage #1: 4-amino-2,3,5,6-tetrafluorobenzoic acid With hydrogenchloride; sodium nitrite In water at 0℃; Stage #2: With sodium azide at 0℃; |
- 122616-98-2
4-azidotetrafluorobenzamide
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium peroxide In water at 50℃; for 42h; | 64% |
- 126695-58-7
succinimidyl 4-azido-2,3,5,6-tetrafluorobenzoate
- 58066-85-6
hexadecylphosphocholine
B
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Title compound not separated from byproducts; |
- 36629-42-2
methyl pentafluorobenzoate
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 96 percent / NaN3 / acetone; H2O / 16 h / Heating 2: 98 percent / aq. NaOH / methanol / 25 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 87 percent / sodium azide / acetone; H2O / 7 h / Heating 2: 95 percent / NaOH / H2O; methanol / 8 h / 25 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 87 percent / NaN3 / acetone; H2O / 8 h / Heating 2: 98 percent / 20percent aq. NaOH / methanol; H2O / 25 °C View Scheme |
- 715-37-7
methyl 4-amino-2,3,5,6-tetrafluorobenzoate
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 96 percent / TFA, NaNO2, NaN3 / 2.67 h / 0 °C 2: 94 percent / LiOH*H2O / methanol; H2O / 23 h / 25 °C View Scheme |
- 773-82-0
Pentafluorobenzonitrile
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 18 percent / H2O2, (n-C4H9)4NHSO4, 20percent aq. NaOH / CH2Cl2 / 40 h / 25 °C 2: 64 percent / Na2O2 / H2O / 42 h / 50 °C View Scheme |
- 652-31-3
2,3,4,5,6-pentafluorobenzamide
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 83 percent / NaN3 / acetone; H2O / 8 h / Heating 2: 64 percent / Na2O2 / H2O / 42 h / 50 °C View Scheme |
- 602-94-8
Pentafluorobenzoic acid
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 96 percent / conc. H2SO4 / CCl4 / Heating 2: 87 percent / NaN3 / acetone; H2O / 8 h / Heating 3: 98 percent / 20percent aq. NaOH / methanol; H2O / 25 °C View Scheme |
- 1423-15-0
perfluorophenyl azide
- 122590-77-6
4-azido-2,3,5,6-tetrafluorobenzoic acid
- Total:27 Page 1 of 1 1
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Specification
The Benzoic acid,4-azido-2,3,5,6-tetrafluoro-, with the CAS registry number 122590-77-6, is also known as 4-Amino-3,5-dimethylbenzoic acid methyl ester. This chemical's molecular formula is C7HF4N3O2 and molecular weight is 235.1. What's more, its systematic name is 4-Azido-2,3,5,6-tetrafluorobenzoic acid and it belongs to the product categories of Nitric Oxide Reagents; Cross Linking Reagents; Photoaffinity Labels.
Physical properties of Benzoic acid,4-azido-2,3,5,6-tetrafluoro- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.66 Å2; (13)Feature 3D Acceptor Count: 2; (14)Feature 3D Anion Count: 1; (15)Feature 3D Ring Count: 1; (16)Effective Rotor Count: 2; (17)Conformer Sampling RMSD: 0.6; (18)CID Conformer Count: 3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F)C(=O)O
(2)InChI: InChI=1S/C7HF4N3O2/c8-2-1(7(15)16)3(9)5(11)6(4(2)10)13-14-12/h(H,15,16)
(3)InChIKey: IOJFHZXQSLNAQJ-UHFFFAOYSA-N