| Identification | More | [Name]
4-Biphenylcarbonyl chloride | [CAS]
14002-51-8 | [Synonyms]
4-BIPHENYLCARBONYL CHLORIDE
4-PHENYLBENZOYL CHLORIDE
BIPHENYL-4-CARBONYL CHLORIDE
P-PHENYLBENZOYL CHLORIDE
[1,1’-biphenyl]-4-carbonylchloride
4-BIPHENYLCARBONYL CHLORIDE CRYSTALLINE
Biphenyl-4-carbonyl chloride 98%
4-Biphenylcarbonyl chloride ,98%
1,1'-Biphenyl-4-carboxylic acid chloride
Biphenyl-4-carboxylic acid chloride | [EINECS(EC#)]
237-804-8 | [Molecular Formula]
C13H9ClO | [MDL Number]
MFCD00000692 | [Molecular Weight]
216.66 | [MOL File]
14002-51-8.mol |
| Questions And Answer | Back Directory | [Synthesis]
4-Biphenylcarbonyl chloride was prepared from 4-acetylbiphenyl via the following chemical reaction. The synthesis method is as follows:
While stirring at room temperature, S2Cl2 (0.16 ml, 2.0 mmol) was added to a mixture of 4-acetylbiphenyl (196 mg, 1.0 mmol), pyridine (0.012 ml, 0.15 mmol), and chlorobenzene (0.35 ml). After 2 hours, SO2Cl2 (0.121 ml, 1.5 mmol) was added dropwise, and the resulting mixture was stirred at room temperature for 0.5 hours. The mixture was then stirred at 132°C for 15 hours. The mixture was diluted with CDCI3 (2 ml), an internal standard (1BU3PO4, 0.0552 ml, 0.20 mmol) was added, and the mixture was analyzed. 1H NMR showed that biphenyl-4-formyl chloride was formed in 90% yield. ¹H NMR (PhCl, CDCI₃, 400 MHz) δ = 8.06 (d, J = 8 Hz, 2H), 7.58 (d, J = 8 Hz, 3H), 7.53 (d, J/8 Hz, 1H), 7.43–7.32 (m, 3H). |
| Chemical Properties | Back Directory | [Appearance]
white to yellow fine crystalline powder | [Melting point ]
110-112 °C (lit.) | [Boiling point ]
160 °C / 2mmHg | [density ]
1.1459 (rough estimate) | [refractive index ]
1.5260 (estimate) | [storage temp. ]
2-8°C
| [form ]
Fine Crystalline Powder | [color ]
White to yellow | [Water Solubility ]
HYDROLYSIS | [Sensitive ]
Moisture Sensitive/Lachrymatory | [Detection Methods]
GC,NMR | [BRN ]
472842 | [InChI]
1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H | [InChIKey]
JPVUWCPKMYXOKW-UHFFFAOYSA-N | [SMILES]
ClC(=O)c1ccc(cc1)-c2ccccc2 | [CAS DataBase Reference]
14002-51-8(CAS DataBase Reference) | [EPA Substance Registry System]
14002-51-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [Hazard Codes ]
C | [Risk Statements ]
R14:Reacts violently with water.
R34:Causes burns. | [Safety Statements ]
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 ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [F ]
21-10 | [Hazard Note ]
Corrosive/Lachrymatory/Moisture Sensitive | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29163990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
4-Biphenylcarbonyl chloride is white to yellow fine crystalline powder
| [Uses]
Biphenyl-4-carbonyl chloride was used in the preparation of a novel thiourea compound, N-(6-methyl pyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide. It was also used in the preparation of 5-CF3-oxazole analog, 2-{4-[2-(2-biphenyl-4-yl-5-trifluoromethyl-oxazol-4-yl)-ethoxy]-phenoxy}-2-methyl-propionic acid.
| [Purification Methods]
Dissolve the carbonyl chloride in a large volume of pet ether (10 x, b 50-70o), filter it through a short column of neutral alumina, evaporate to dryness in vacuo and recrystallise it from pet ether (b 60-80o). [Beilstein 9 IV 2480.] LACHRYMATORY. |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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China Langchem Inc.
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