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| CAS No.: | 14002-51-8 |
|---|---|
| Name: | 4-Biphenylcarbonyl chloride |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H9ClO |
| Molecular Weight: | 216.667 |
| Synonyms: | 4-Biphenylcarbonylchloride (6CI,8CI);4-Biphenylylformyl chloride;4-Phenylbenzoyl chloride;Diphenyl-4-carboxylic acid chloride;p-Biphenylcarbonyl chloride;p-Phenylbenzoyl chloride; |
| EINECS: | 237-804-8 |
| Density: | 1.196 g/cm3 |
| Melting Point: | 110-112 °C(lit.) |
| Boiling Point: | 337.092 °C at 760 mmHg |
| Flash Point: | 158.394 °C |
| Solubility: | HYDROLYSIS |
| Appearance: | white to yellow fine crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34 |
| Safety: | 26-36/37/39-43-45-25 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 3.73260 |
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- 92-92-2
biphenyl-4-carboxylic acid
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide Heating / reflux; | 100% |
| With thionyl chloride; N,N-dimethyl-formamide at 85℃; for 16h; Industrial scale; | 100% |
| With thionyl chloride at 80℃; for 16h; | 91% |
- 92-91-1
biphenyl-4-acetaldehyde
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Stage #1: biphenyl-4-acetaldehyde With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 2h; Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 15.5h; Reagent/catalyst; Temperature; | 90% |
| Stage #1: biphenyl-4-acetaldehyde With pyridine; sulfur monochloride In chlorobenzene at 20℃; Stage #2: With thionyl chloride In chlorobenzene at 20 - 132℃; Reagent/catalyst; Temperature; | 83% |
| Multi-step reaction with 2 steps 1: NaOH; Br2 2: SOCl2 View Scheme | |
| With pyridine; disulfur dichloride at 70 - 138℃; for 21.5h; Reagent/catalyst; Concentration; Temperature; | 83 %Spectr. |
- 92-52-4
biphenyl
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: AlCl3 / CS2 2: NaOH; Br2 3: SOCl2 View Scheme |
- 92-91-1
biphenyl-4-acetaldehyde
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hypobromite 2: phosphorous pentachloride View Scheme |
- 644-08-6
4-Methylbiphenyl
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous permanganate 2: thionyl chloride View Scheme | |
| Multi-step reaction with 2 steps 1: potassium permanganate / water / 9 h / 90 °C 2: potassium permanganate / 3 h / 70 °C View Scheme |
| Conditions | Yield |
|---|---|
| In thionyl chloride |
- 79-37-8
oxalyl dichloride
- 92-92-2
biphenyl-4-carboxylic acid
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| In N-methyl-acetamide; dichloromethane | |
| In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; |
- 92-66-0
4-bromo-1,1'-biphenyl
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: magnesium / tetrahydrofuran / Reflux 2: thionyl chloride / 3 h / Reflux View Scheme |
- 720-75-2
methyl 4-phenylbenzoate
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydroxide / tetrahydrofuran; water / 12 h 1.2: pH 1 2.1: thionyl chloride / tetrahydrofuran / Reflux View Scheme |
- 3416-93-1
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
- 92-92-2
biphenyl-4-carboxylic acid
- 14002-51-8
4-biphenyl-carboxylic acid chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide |
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Chemistry
The Molecular Structure of (1,1'-Biphenyl)-4-carbonyl chloride (CAS NO.14002-51-8):
Molecular Formula: C13H9ClO
Molecular Weight: 216.662960 g/mol
IUPAC: 4-phenylbenzoyl chloride
Product Categories: Biphenyl derivatives;Absolute Configuration Determination (Exciton Chirality CD Method);Analytical Chemistry;Enantiomer Excess & Absolute Configuration Determination;Exciton Chirality CD Method (for Hydroxyl Groups)
Appearance: white to yellow fine crystalline powder
Nominal Mass: 216 Da
Average Mass: 216.663 Da
Monoisotopic Mass: 216.034193 Da
Index of Refraction: 1.589
Molar Refractivity: 61.08 cm3
Molar Volume: 181.1 cm3
Surface Tension: 43.2 dyne/cm
Density: 1.196 g/cm3
Melting Point: 110-112 °C(lit.)
Storage temp: 2-8°C
Water Solubility: hydrolysis
Sensitive: Moisture Sensitive/Lachrymatory
Flash Point: 158.4 °C
Enthalpy of Vaporization: 58.03 kJ/mol
Boiling Point: 337.1 °C at 760 mmHg
Vapour Pressure: 0.000107 mmHg at 25°C
InChI
InChI=1/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
Smiles
O=C(c1ccc(c2ccccc2)cc1)Cl
Safety Profile
Hazard Codes: 
C
Risk Statements: 14-34
R14 : Reacts violently with water
R34: Causes burns
Safety Statements: 26-36/37/39-43-45-25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S43: In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25: Avoid contact with eyes
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 21-10
F 21: Sensitive to humidity
F 10: Keep under argon
Hazard Note: Corrosive/Lachrymatory/Moisture Sensitive
HazardClass: 8
PackingGroup: II
Specification
(1,1'-Biphenyl)-4-carbonyl chloride (CAS NO.14002-51-8) is also called as EINECS 237-804-8 ; p-Phenylbenzoyl chloride .