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Cas Database |
| Name |
3,4-Difluorobenzoyl chloride |
EINECS | 278-570-7 |
| CAS No. | 76903-88-3 | Density | 1.42 g/cm3 |
| PSA | 17.07000 | LogP | 2.34380 |
| Solubility | N/A | Melting Point |
53-54 °C |
| Formula | C7H3ClF2O | Boiling Point | 186.2 °C at 760 mmHg |
| Molecular Weight | 176.55 | Flash Point | 78.3 °C |
| Transport Information | UN 3265 8/PG 2 | Appearance | clear yellow liquid |
| Safety | 26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
3,4-Difluorobenzoylchloride; |
Article Data | 26 |
3,4-Difluorobenzoyl chloride Synthetic route
- 455-86-7
3,4-Difluorobenzoic acid
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide at 70 - 80℃; Substitution; | 96.3% |
| With thionyl chloride Heating; | 88% |
| With thionyl chloride In benzene Heating; | 81% |
- 32137-19-2
1,2-difluoro-4-(trifluoromethyl)benzene
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 86 percent / conc. sulfuric acid / 2 h / 80 °C 2: thionyl chloride / benzene / 2 h / Heating View Scheme |
- 328-84-7
1,2-dichloro-4-(trifluoromethyl)benzene
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: KF / various solvent(s) / 24 h / 265 °C / other temperatures, other solvents 2: 86 percent / conc. sulfuric acid / 2 h / 80 °C 3: thionyl chloride / benzene / 2 h / Heating View Scheme |
- 5216-25-1
4-chlorotrichloromethylbenzene
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: chlorosulfuric acid / 1) 120 deg C, 1 h 2) 150 deg C, 2 h 2: 94 percent / SOCl2 / benzene / 8 h / Heating 3: 71 percent / KF, Ph4PBr / acetonitrile / 16 h / Heating 4: 45 percent / KF, PPh4Br / tetrahydrothiophene 1,1-dioxide; toluene / 210 °C / 270 Torr 5: 93 percent / 10percent NaOH / 1 h 6: 81 percent / SOCl2 / benzene / Heating View Scheme |
- 2494-79-3
4-chloro-3-(chlorosulfonyl)benzoic acid
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 94 percent / SOCl2 / benzene / 8 h / Heating 2: 71 percent / KF, Ph4PBr / acetonitrile / 16 h / Heating 3: 45 percent / KF, PPh4Br / tetrahydrothiophene 1,1-dioxide; toluene / 210 °C / 270 Torr 4: 93 percent / 10percent NaOH / 1 h 5: 81 percent / SOCl2 / benzene / Heating View Scheme |
- 62574-66-7
3-chlorosulfonyl-4-chlorobenzoyl chloride
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 71 percent / KF, Ph4PBr / acetonitrile / 16 h / Heating 2: 45 percent / KF, PPh4Br / tetrahydrothiophene 1,1-dioxide; toluene / 210 °C / 270 Torr 3: 93 percent / 10percent NaOH / 1 h 4: 81 percent / SOCl2 / benzene / Heating View Scheme |
- 127269-25-4
3,4-difluorobenzoyl fluoride
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 93 percent / 10percent NaOH / 1 h 2: 81 percent / SOCl2 / benzene / Heating View Scheme |
- 127986-80-5
4-fluoro-3-(fluorosulfonyl)benzoyl fluoride
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 45 percent / KF, PPh4Br / tetrahydrothiophene 1,1-dioxide; toluene / 210 °C / 270 Torr 2: 93 percent / 10percent NaOH / 1 h 3: 81 percent / SOCl2 / benzene / Heating View Scheme |
- 1408075-34-2
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-piperidin-4-amine
- 76903-88-3
3,4-difluorobenzoyl chloride
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran at 20℃; for 3h; | 100% |
- 41994-51-8
1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride
- 76903-88-3
3,4-difluorobenzoyl chloride
- 1147550-70-6
2-(3,4-difluorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride; 3,4-difluorobenzoyl chloride With sodium hydroxide In water; acetone for 1h; pH=> 10; Stage #2: Stage #3: With hydrogenchloride In water | 98.8% |
| Stage #1: 1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride With sodium hydroxide In acetone at 20℃; Stage #2: 3,4-difluorobenzoyl chloride With sodium hydroxide In acetone at 20℃; pH=> 10; Stage #3: With hydrogenchloride In water pH=5 - 6; | 95% |
3,4-Difluorobenzoyl chloride Chemical Properties
IUPAC Name: 3,4-Difluorobenzoyl chloride
The MF of 3,4-Difluorobenzoyl chloride (76903-88-3) is C7H3ClF2O.
The MW of 3,4-Difluorobenzoyl chloride (76903-88-3) is 176.55.
Synonyms of 3,4-Difluorobenzoyl chloride (76903-88-3): 3,4-Difluorobenzoyl chloride ; Benzoyl chloride, 3,4-difluoro- ; 3,4-Difluorobenzoylchloride
Product Categories: ACIDHALIDE;Miscellaneous;Acid Halides;Carbonyl Compounds
Form: Clear yellow liquid
Index of Refraction: 1.498
EINECS: 278-570-7
Density: 1.42 g/ml
Flash Point: 78.3 °C
Boiling Point: 186.2 °C
Sensitive: Moisture Sensitive
BRN: 4177619
3,4-Difluorobenzoyl chloride Uses
3,4-Difluorobenzoyl chloride (76903-88-3) is used as pharmaceutical intermediates.
3,4-Difluorobenzoyl chloride Production
The condensation of gamma-butyrolactone (I) with phenethyl amine (II) at high temperatures afforded phenethylpyrrolidinone (III). This was alkylated with isobutyl iodide (IV) in the presence of lithium diisopropylamide in cold THF yielding the 3-isobutyl pyrrolidinone (V), and further alkylated with tert-butyl bromoacetate (VI) to give (VII). Subsequent alkylation of (VII) at the alpha-position of carboxylate group with allyl bromide provided (VIII). Ozonolysis of the double bond of (VIII), followed by reductive treatment with NaBH4 produced alcohol (IX), which was coupled with dibenzyl iminodicarboxylate (X) under Mitsunobu conditions giving (XI). The biscarbamate (XI) was deprotected by hydrogenolysis over Pd/C, and the resulting primary amine (XII) was condensed with 3,4-difluorobenzoyl chloride (XIII) to furnish amide (XIV). Then, trifluoroacetic acid-promoted cleavage of the tert-butyl ester of (XIV) provided the corresponding carboxylic acid, which was finally coupled with hydroxylamine by means of EDC and HOBt to afford the target hydroxamic acid.
3,4-Difluorobenzoyl chloride Safety Profile
Safety information of 3,4-Difluorobenzoyl chloride (76903-88-3):
Hazard Codes .gif){kind=small}
C
Risk Statements
34 Causes burns
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR UN 3265 8/PG 2
WGK Germany 3
Hazard Note Corrosive
HazardClass 8
PackingGroup II
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