基本信息
- 标准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
概述
Phenylmagnesium bromide is an arylmagnesium halide. It has a role as a Grignard reagent.
名称与标识
- 首选名称
- Phenylmagnesium bromide
- IUPAC
- magnesium;benzene;bromide
- 中文名
- 苯基溴化镁
- 英文名
- Phenylmagnesium bromide
- 分子式
- C6H5BrMg
- 分子量
- 181.31
名称与别名
展开更多名称
数据库标识
- CAS
100-58-3- PubChem CID
- 66852
- DTXSID
DTXSID3059214- ChEBI
CHEBI:51238- EC Number
- 202-867-2
性质
结构计算性质
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 100
实验与物化性质
Density
1.14
Relative density: 1.134 mg/L at 25 °C
Color/Form
A solution in ether
Liquid
物理化学性质
- 熔点
- 153 · 153-154 °C
- 密度
- 1.134 g/mL · 1.134 g/mL at 25 °C
- 闪点
- 40 °F · −40 °F
- 储存条件
- water-free area
- 溶解度
- Miscible with tetrahydrofuran.
- 形态
- Liquid
- 颜色
- Yellow to brown
- 比重
- 1.14 · 1.14
- 外观
- Clear to slightly hazy colorless to dark brown liquid.
- 水溶解性
- reacts
- 敏感性
- Air & Moisture Sensitive
- 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 数据库
- 100 · 100-58-3(CAS DataBase Reference)
- EPA化学物质信息
- Magnesium, bromophenyl- (100-58-3)
安全与法规
GHS分类
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.
危害信息
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.
安全与防护
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]
毒理信息
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/
安全数据
- F
- 1-3-10
- wgk
- 1
- tsca
- TSCA listed
- 包装类别
- II
- 危险等级
- 4.3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-26-36/37/39-45-33-29-7/8-6A-43B
- 海关编码
- 29319090
- 危险品标志
- F+,C,F
- 危险性类别
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- 危险类别码
- 12-14-22-34-19-11-67-40-37
- 毒害物质数据
- 100-58-3(Hazardous Substances Data)
- 危险品运输编号
- UN 3399 4.3/PG 1
化学与工业
用途与制造
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/
应用领域
应用苯基溴化镁是一种有机金属化合物,用作格氏试剂,主要应用如下:一、制备1,1-二苯基乙烯,二、用于制备(S)-(-)-1,1,2-三苯基-1,2-乙二醇。
制备方法
生产方法在乙醚中冷却的条件下,加入二溴化二苯基碲,在水浴上加热进行反应,生成溴化苯基邻甲苯基镁和二苯基碲等。将邻溴甲苯与金属镁在氢气氛中以干燥苯为溶剂在二甲基苯胺存在下加热反应制取。
上下游产品信息
上游原料
下游产品
试剂价格
- H54729 · 100ml
- 苯基溴化镁, 3M 2-MeTHF 溶液Phenylmagnesium bromide, 3M in 2-MeTHF — 4239元
- P2025 · 250g
- 苯基溴化镁 (16%于四氢呋喃中, 约 1mol/L)Phenylmagnesium Bromide (16% in Tetrahydrofuran, ca. 1mol/L) — 590元
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相关反应
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