2-甲基-2-苯基丙基氯化镁 | 35293-35-7

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机镁
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲基-2-苯基丙基氯化镁
• 中文别名: 2-甲基-2-苯丙基氯化镁
• 英文名称: magnesium,2-methanidylpropan-2-ylbenzene,chloride
• 英文别名: 2-methyl-2-phenyl-1-propylmagnesium chloride；(2-methyl-2-phenyl-propyl)magnesium chloride；(2-methyl-2-phenylpropyl)magnesium chloride；2-methyl-1-phenylpropylmagnesium chloride；2-methyl-2-phenylpropylmagnesium chloride；chloro(2-methyl-2-phenylpropyl)magnesium；neophyl magnesium chloride
• CAS: 35293-35-7
• 化学式: C₁₀H₁₃ClMg
• 分子量: 192.971
• InChiKey: BXKYFONHSSFLKR-UHFFFAOYSA-M

物化性质

• 沸点：
  34.6 °C
• 密度：
  0.766 g/mL at 25 °C
• 闪点：
  −18 °F

计算性质

• 辛醇/水分配系数(LogP)：
  3.24
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

安全信息

• 危险品标志：
  F+,C
• 安全说明：
  S16,S26,S33,S36/37/39,S45
• 危险类别码：
  R12
• WGK Germany：
  1
• 海关编码：
  2931900090
• 危险品运输编号：
  UN 2924 3

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-Methyl-2-phenylpropylmagnesium chloride
solution
CAS-No. : 35293-35-7

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 1)
Acute toxicity, Oral (Category 4)
Skin corrosion (Category 1B)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Extremely flammable. Causes burns. Harmful if swallowed. May form explosive peroxides. Vapours may
cause drowsiness and dizziness. Reacts violently with water.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Extremely flammable liquid and vapour.
Harmful if swallowed.
Causes severe skin burns and eye damage.
May cause drowsiness or dizziness.
Precautionary statement(s)
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard information (EU)
Reacts violently with water.
May form explosive peroxides.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R12 Extremely flammable.
R14 Reacts violently with water.
R19 May form explosive peroxides.
R22 Harmful if swallowed.
R34 Causes burns.
R67 Vapours may cause drowsiness and dizziness.
S-phrase(s)
S16 Keep away from sources of ignition - No smoking.
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.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Mixtures
Formula : C10H13ClMg
Molecular Weight : 192,97 g/mol
Component Classification Concentration
Diethyl ether
CAS-No. 60-29-7 Flam. Liq. 1; Acute Tox. 4; -
EC-No. 200-467-2 STOT SE 3; H224, H302,
Index-No. 603-022-00-4 H336, EUH019, EUH066
F+, Xn, R12 - R19 - R22 - R66
- R67
Chloro(2-methyl-2-phenylpropyl)magnesium
CAS-No. 35293-35-7 Skin Corr. 1B; H314, EUH014 10 - 20 %
EC-No. 252-492-3 C, R14 - R34
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Dry powder
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas, Magnesium oxide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13). Do not flush with water.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Never allow product to get in contact with water during storage.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
tested and approved under appropriate government standards such as NIOSH (US) or EN
166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type AXBEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 34,6 °C at 1.013 hPa
boiling range
g) Flash point -27,8 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 0,766 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
Reacts violently with water.
Conditions to avoid
Heat, flames and sparks. Extremes of temperature and direct sunlight. Exposure to moisture.
Incompatible materials
Water, Oxidizing agents, Strong oxidizing agents, Strong acids, Alcohols, acids
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract. Vapours may cause
drowsiness and dizziness.
Ingestion
Harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 2924 IMDG: 2924 IATA: 2924
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, CORROSIVE, N.O.S. (Diethyl ether, Chloro(2-methyl-2-
phenylpropyl)magnesium)
IMDG: FLAMMABLE LIQUID, CORROSIVE, N.O.S. (Diethyl ether, Chloro(2-methyl-2-
phenylpropyl)magnesium)
IATA: Flammable liquid, corrosive, n.o.s. (Diethyl ether, Chloro(2-methyl-2-
phenylpropyl)magnesium)
Transport hazard class(es)
ADR/RID: 3 (8) IMDG: 3 (8) IATA: 3 (8)
Packaging group
ADR/RID: I IMDG: I IATA: I
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基-2-苯基丙基氯化镁 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 反应 3.0h， 生成 2-methanidylpropan-2-ylbenzene;palladium(2+);1,4,7-trimethyl-1,4,7-triazonane
  参考文献：
  名称：

  有机金属Pd（II）前体的双氧活化：Pd（IV）-OH络合物的形成及其CO键的形成反应性。

  摘要：

  络合物（Me3tacn）Pd（II）（CH2CMe2C6H4）易于被O2或H2O2氧化，生成Pd（IV）-OH络合物[（Me3tacn）Pd（IV）（OH）（CH2CMe2C6H4）]（+）。该产物的热解导致选择性地对2-叔丁基苯酚进行C（sp（2））-O还原消除，未检测到C（sp（3））-O消除产物。该系统代表与Pd催化的好氧CH羟基化反应有关的选择性C（sp（2））-O键形成的罕见例子。

  DOI：

  10.1039/c3cc49387c

文献信息

• Conformationally Driven Two- and Three-Photon Cascade Processes in the Stereoselective Photorearrangement of Pyrroles
  作者：Paul J. Koovits、Jonathan P. Knowles、Kevin I. Booker-Milburn

  DOI：10.1021/acs.orglett.6b02829

  日期：2016.11.4

  A TBSO group has been shown to exert a high degree of stereocontrol during the two-photon photocycloaddition/rearrangement of N-butenylpyrroles to complex tricyclic aziridines. Moreover, this and other bulky groups have been shown to change the outcome of the reaction, promoting a new two-photon sequence to tricyclic imines and an unprecedented stereoselective three-photon sequence to azabicyclo[3

  已显示TBSO基团在N-丁烯基吡咯的二光子光环加成/重排成复杂的三环氮丙啶的过程中具有高度的立体控制。而且，已经表明该基团和其他庞大的基团改变了反应的结果，将新的两光子序列促进为三环亚胺，并将空前的立体选择性三光子序列促进为氮杂双环[3.3.1]壬烷。
• Sodium Methyl Carbonate as an Effective C1 Synthon. Synthesis of Carboxylic Acids, Benzophenones, and Unsymmetrical Ketones
  作者：Timothy E. Hurst、Julie A. Deichert、Lucas Kapeniak、Roland Lee、Jesse Harris、Philip G. Jessop、Victor Snieckus

  DOI：10.1021/acs.orglett.9b00773

  日期：2019.6.7

  Reported is the synthesis of carboxylic acids, symmetrical ketones, and unsymmetrical ketones with selectivity achieved by exploiting the differential reactivity of sodium methyl carbonate with Grignard and organolithium reagents.

  报道了通过利用碳酸镁钠与格利雅（Grignard）和有机锂试剂的差异反应性而实现的选择性合成羧酸，对称酮和不对称酮的方法。
• Palladium-Catalyzed Cross-Coupling of Monochlorosilanes and Grignard Reagents
  作者：Bojan Vulovic、Andrew P. Cinderella、Donald A. Watson

  DOI：10.1021/acscatal.7b03465

  日期：2017.12.1

  of the Si–Cl bond (113 kcal/mol) and is a rare example of a transition-metal catalyzed process involving its activation. Because of the availability of both chlorosilanes and organomagnesium halide reagents, this method allows for the preparation of a wide range of alkyl and aryl silanes.

  使用由DrewPhos负载的钯催化剂，一氯硅烷与伯和仲烷基镁卤化物的烷基化现已成为可能。还可以用空间上需要的芳族卤化镁进行丙烯酸化。这种转变克服了Si-Cl键的高结合强度（113 kcal / mol），是过渡金属催化过程涉及其活化的罕见例子。由于既有氯硅烷也有有机卤化镁试剂，这种方法可以制备各种烷基和芳基硅烷。
• [EN] METHOD FOR PREPARING SILAHYDROCARBONS<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DE SILAHYDROCARBURES
  申请人：UNIV DELAWARE

  公开号：WO2018064163A1

  公开（公告）日：2018-04-05

  The present disclosure is directed to a process for preparing silahydrocarbons of formula (I), the process comprising the step of reacting a compound of formula (II), with a compound of formula (III), as well as to silahydrocarbons prepared by such a process, and to compositions and articles of manufacture comprising such silahydrocarbons.

  本公开涉及一种制备式(I)硅氢化物的方法，该过程包括将式(II)的化合物与式(III)的化合物反应，以及由该方法制备的硅氢化物，以及包含该硅氢化物的组合物和制造品。
• Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes
  作者：Di Zhu、Ilia Korobkov、Peter H. M. Budzelaar

  DOI：10.1021/om300182c

  日期：2012.5.28

  LCo(N2) reacts with many alkyl and aryl halides RX, including aryl chlorides, to give a mixture of LCoR and LCoX in a halogen atom abstraction mechanism. Intermediacy of free alkyl and aryl radicals is confirmed by the ring-opening of cyclopropylmethyl to crotyl, and the rearrangement of 2,4,6-tBu3C6H2 to 3,5-tBu2C6H3CMe2CH2, before binding to Co. The organocobalt species generated in this way react further

  可以通过Na / Hg还原LCoCl 2或氢解LCoCH 2 SiMe 3来制备形式上为Co（0）的配合物LCo（N 2）（L = 2,6-双（2,6-二甲基苯基亚氨基乙基）吡啶）。在后一反应中，LCOH可以通过与N≡CC反应被截留6 ħ 4 -4-CL，得到LCoN═CHC 6 ħ 4 -4-CL。LCo（N 2）与许多烷基和芳基卤化物RX（包括芳基氯化物）反应，在卤素原子提取机理中得到LCoR和LCoX的混合物。游离烷基和芳基的中间体通过环丙基甲基对巴豆基的开环和2,4,6- t Bu的重排得到证实3 C 6 H 2至3,5- t Bu 2 C 6 H 3 CMe 2 CH 2，然后与Co结合。以这种方式生成的有机钴物质进一步与活化的卤化物R'X（烷基碘；烯丙基和苄基卤化物）反应）以最有可能再次是卤素提取机理的方式产生交叉偶联产物RR'。DFT研究支持为这两个步骤建议的基本途径。MeI与LCoCH