基本情報
- 標準SMILES
[Br-].[Mg+2].[c-]1ccccc1- InChIKey
ANRQGKOBLBYXFM-UHFFFAOYSA-M- 分子式
- C6.H5.Mg.Br
- 平均分子量
- 181.31 g/mol
概要
Phenylmagnesium bromide is an arylmagnesium halide. It has a role as a Grignard reagent.
名称と識別子
- 優先名称
- Phenylmagnesium bromide
- IUPAC
- magnesium;benzene;bromide
- 現地名
- フェニルマグネシウムブロミド
- 英語名
- Phenylmagnesium bromide
- 分子式
- C6H5BrMg
- 分子量
- 181.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
100-58-3- PubChem CID
- 66852
- DTXSID
DTXSID3059214- ChEBI
CHEBI:51238- EC Number
- 202-867-2
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 100
実験および物理化学的性質
Density
1.14
Relative density: 1.134 mg/L at 25 °C
Color/Form
A solution in ether
Liquid
物理化学的性質
- 融点
- 153 · 153-154 °C
- 比重(密度)
- 1.134 g/mL · 1.134 g/mL at 25 °C
- 闪点
- 40 °F · −40 °F
- 貯蔵温度
- water-free area
- 溶解性
- テトラヒドロフランと混和します。
- 外見
- 液体
- 色
- 黄色から茶色
- 比重
- 1.14 · 1.14
- 水溶解度
- 反応する
- BRN
- 3588849 · 3588849
- InChI
- InChI=1S/C6H5.BrH.Mg/c1-2-4-6-5-3-1;;/h1-5H;1H;/q;;+1/p-1
- InChIKey
- ANRQGKOBLBYXFM-UHFFFAOYSA-M
- SMILES
- C1([Mg]Br)C=CC=CC=1
- CAS データベース
- 100 · 100-58-3(CAS DataBase Reference)
- EPAの化学物質情報
- Magnesium, bromophenyl- (100-58-3)
化学的性質
化学的特性Clear light brown to brown solution.
安全と法規制
GHS分類
GHS Classification
Danger
H225 (39.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: Bromophenylmagnesium (EC: 202-867-2)
Magnesium, bromophenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
3 molar solution in diethyl ether (CAS# 60-29-7): Reacts violently with water evolving flammable gases; May form explosive peroxides; Causes burns; [Alfa Aesar MSDS] See Methyl magnesium bromide, Cyclohexylmagnesium chloride, Phenylmagnesium chloride, and Ethyl magnesium bromide.
安全と保護具
Disposal Methods
SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
毒性情報
Antidote and Emergency Treatment
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
安全データ
- F
- 1-3-10
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3399 4.3/PG 1
- hs_code
- 29319090
- risk_code
- 12-14-22-34-19-11-67-40-37
- 化審法
- (2)-2206
- 安衛法
- 有機則 第二種有機溶剤等
- 消防法
- 危-4-1-II
- hazard_code
- F+,C,F
- safety_code
- 16-26-36/37/39-45-33-29-7/8-6A-43B
- hazard_class
- 4.3
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 100-58-3(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Arylating agent in organic synthesis.
Aryl, Chemical Synthesis, Grignard Reagents, Organometallic Reagents
General Manufacturing Information
Magnesium, bromophenyl-: ACTIVE
Grignard reagents is basically an organomagnesium halide having a formula of RMgX where X is a halogen, and R is an alkyl or aryl (based on a benzene ring) group. On the event of Grignard Reaction, Grignard reagent is added to a ketone or aldehyde, to form a tertiary or secondary alcohol, respectively. The reaction with formaldehyde leads to a primary alcohol. Grignard reagent can be used for determining the number of halogen atoms present in a halogen compound. ... Used for the chemical analysis of certain triacylglycerols. /Grignard reagents/
応用分野
解説フェニルマグネシウムブロミド ,グリニャール試薬の一種。空気中では不安定で,エーテル系溶媒に可溶。有機化合物にフェニル基を導入する試薬として,実験室ばかりでなく工業的にも重要である。トリフェニルメタノール,ジフェニルエチレンなどの重要原料となる。グリニャール反応【友田 修司】株式会社平凡社 世界大百科事典 第2版について 情報
使用Phenylmagnesium Bromide is a reagent used in the preparation of arylcarbonimidic dichlorides via dichloroiodobenzene-mediated gem-dichlorination of aryl isonitriles.
上流・下流製品情報
上流原料
下流製品
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