Description Properties Uses Preparation Application Hazard Statements
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Phenyllithium

Description Properties Uses Preparation Application Hazard Statements
Product Name
Phenyllithium
CAS No.
591-51-5
Chemical Name
Phenyllithium
Synonyms
PHLI;Phenyllithium, typically 1.9 M in dibutylether;LITHIUMPHENYL;PHENYLLITHIUM;phenyl-lithiu;Lithiobenzene;phenyll-Lithium;PHENYLLITHIUM DIBUTYL;phenyllithium solution;20%solutioninDibutylether
CBNumber
CB4853905
Molecular Formula
C6H5Li
Formula Weight
84.05
MOL File
591-51-5.mol
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Phenyllithium Property

Melting point:
160-163 °C(Solv: benzene (71-43-2))
Boiling point:
140-143 °C
Density 
0.835 g/mL at 25 °C
Flash point:
20 °C
storage temp. 
Store at +2°C to +8°C.
solubility 
Miscible with ether and hydrocarbons.
form 
Dark Brown Solution
Water Solubility 
Severe reaction
Sensitive 
Air & Moisture Sensitive
BRN 
506502
Stability:
Moisture Sensitive
InChIKey
NHKJPPKXDNZFBJ-UHFFFAOYSA-N
CAS DataBase Reference
591-51-5(CAS DataBase Reference)
EPA Substance Registry System
Lithium, phenyl- (591-51-5)
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Safety

Hazard Codes 
F,C,N,Xi
Risk Statements 
11-14-17-34-52/53-67-66-65-50/53-22-19-35-36/37/38
Safety Statements 
26-36/37/39-45-61-62-60-43-16-6-8
RIDADR 
UN 3392 4.2/PG 1
WGK Germany 
2
1-10
TSCA 
Yes
HazardClass 
4.3
PackingGroup 
II
HS Code 
29319090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H226Flammable liquid and vapour

H314Causes severe skin burns and eye damage

H335May cause respiratory irritation

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
593230
Product name
Phenyllithium solution
Purity
1.9M in dibutyl ether
Packaging
50ml
Price
$128
Updated
2024/03/01
Sigma-Aldrich
Product number
593230
Product name
Phenyllithium solution
Purity
1.9M in dibutyl ether
Packaging
100ml
Price
$152
Updated
2024/03/01
Sigma-Aldrich
Product number
8.14974
Product name
Phenyllithium
Purity
(20% solution in dibutylether) for synthesis
Packaging
100ML
Price
$714
Updated
2023/01/07
Sigma-Aldrich
Product number
593230
Product name
Phenyllithium solution
Purity
1.9M in dibutyl ether
Packaging
800ml
Price
$391.2
Updated
2024/03/01
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Phenyllithium Chemical Properties,Usage,Production

Description

Phenyllithium is an organometallic compound that is used as a nucleophile for substitution and addition reactions, and in the synthesis of organolithium building blocks through lithium-metalloid and metalation exchange reactions.

Properties

Phenyllithium has a molecular weight of 84.046 g/mol, a monoisotopic mass of 84.055 g/mol and an exact mass of 84.055 g/mol. It has a heavy atom count of 7 and a complexity of 95.8.
Phenyllithium is soluble in ether solvents; it is soluble in hydrocarbon solvents especially through the addition of donor additives/solvents.

Uses

Phenyllithium is used for synthetic purposes to introduce a phenyl group into a compound or for metalation reactions. It undergoes typical Grignard type reactions.

Preparation

Phenyllithium is synthesized by reacting elemental lithium with bromobenzene and dissolving the resulting products in ether. 18g[2.57 mol] of lithium that contains about 1-3% of sodium is flattened out using a hammer to attain a thickness of about 1.5 mm and then it is cut into chips of about 2x10x1.5 mm. The chips are placed into a flask holding 800 ml of anhydrous diethyl ether. The air is purged with dry argon or dry nitrogen and the ether is condensed to -250 C in the first two minutes of the reaction.
150.7 g of bromobenzene is placed into the flask through the dropping funnel, where one portion contains only 10 g of bromobenzene. After a few minutes of the reaction, there is a significant rise in temperature and the contents of the flask appear turbid. When the reaction starts to subside, after about 10 minutes, the remaining bromobenzene is added gradually to the flask using a dropper over a period of 1 hour, while maintaining the temperature of the contents between -150 C and -200 C. The dark coating on the lithium metal subsides almost entirely leaving behind a silver-like appearance.
Once all the bromobenzene is added to the flask, the contents are stirred and the temperature is maintained at -150 C for 1 hour. The temperature should then be allowed to increase up to 00, which will also be indicated a gradually fading glow of the reacting metal.
The resulting solution is emptied into a storage flask that has been filled with an inert gas. The filtration of the solution should take place in an inert atmosphere where a steady stream of argon or nitrogen[2-3 l/min] is passed through the reaction contents to prevent the solution from oxidation. Diethyl ether is then added to increase the Volume of the solution to 1 litre. The contents of the flask are then swirled gently[homogenization] to allow for the final step of the reaction, where the concentration is determined.
Solutions containing Phenyllithium are unstable at room temperature when left for long periods of time. The gradual attack of Phenyllithium on ethyl ether makes the commercial preparation of the compound undesirable. The incorporation of small quantities of ethyl ether to attain solutions of 1:1 phenyllithiumzethyl etherate complex in the presence of benzene reduces the average titer of the ethyl ether hence it makes the solution more stable.
The average titer should be about 1 molar, which corresponds to a high yield[90%] and purity. Amounts that are significantly higher or lower than the mol ratio often yield lesser amounts of Phenyllithium. The resulting 1:1 phenyllithiumzethyl etherate complex could be a tetramer or a dimer but it does not affect the ethyl ether to Phenyllithium ratio, which remains 1:1.

Application

Phenyllithium can be used in the preparation of 1-Acetyl-1′-diphenylphosphinoferrocene from ferrocenophane

Hazard Statements

Phenyllithium is a flammable liquid/vapour and it may catch fire when exposed to air. When it comes into contact with water it emits flammable gases. Phenyllithium may result in acute toxicity upon ingestion and inhalation, or when it comes into contact with one’s eyes and skin.

Chemical Properties

Phenyllithium is a colorless crystalline solid or dark brown to black solution, It is soluble in polar solvents such as ethers and tertiary amines but insoluble in hydrocarbons. Concentrated solutions in volatile solvents are pyrophoric but can be safely handled under inert atmosphere.

Uses

Phenyllithium Solution (1.9M in Dibutyl Ether) is used as catalyst in the synthesis of pharmaceuticals. Used in the preparation of sulfonamides as well as in the preparation of orally bioavailable inhibitors of lipoprotein-associated phospholipase A2.

Definition

ChEBI: Phenyllithium is an aryllithium compound.

Preparation

Phenyllithium is usually prepared in the laboratory from bromobenzene and lithium metal in diethyl ether. Since phenyllithium cleaves ether, the solution must be used within a day or refrigerated. Industrially, it is produced from chlorobenzene and lithium metal dispersion in a benzene-ether mixture. A potentially useful and inexpensive process is one in which benzene is metalated by n-butyllithium in the presence of di-tertiary amines.

Phenyllithium Preparation Products And Raw materials

Raw materials

Preparation Products

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Phenyllithium Suppliers

Huangshi Bo’Er Chemical Co., Ltd.
Tel
0714-6401888 18671400300
Fax
0714-6401888
Email
273568016@qq.com
Country
China
ProdList
545
Advantage
58
Lianyungang Jiezhong Pharmaceutical Technology Co., Ltd
Tel
13165449089
Fax
13165449089
Email
2124455948@qq.com
Country
China
ProdList
67
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
Beijing dtftchem Technology Co., Ltd.
Tel
010-60275820 13031183356
Fax
010-60270825
Email
elainezt@sina.com
Country
China
ProdList
1390
Advantage
62
Beijing HwrkChemical Technology Co., Ltd
Tel
010-89508211 18501085097
Fax
010-89508210
Email
sales.bj@hwrkchemical.com
Country
China
ProdList
8418
Advantage
55
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44688
Advantage
61
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028 13552068683
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12390
Advantage
60
JinYan Chemicals(ShangHai) Co.,Ltd.
Tel
13817811078
Fax
86-021-50426522,50426273
Email
sales@jingyan-chemical.com
Country
China
ProdList
9976
Advantage
60
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View Lastest Price from Phenyllithium manufacturers

Hebei Chuanghai Biotechnology Co,.LTD
Product
Phenyllithium 591-51-5
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-22
Career Henan Chemical Co
Product
Phenyllithium 591-51-5
Price
US $1.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
Customized
Release date
2018-12-25

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  • 591-51-5
  • C6H5Li
  • Aryl
  • Organolithium
  • Organometallic Reagents
  • Classes of Metal Compounds
  • Typical Metal Compounds
  • Li (Lithium) Compounds
  • Classes of Metal Compounds
  • Li (Lithium) Compounds
  • Typical Metal Compounds