1 -溴-3-氯-2,2 -二甲氧基 | 22089-54-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1 -溴-3-氯-2,2 -二甲氧基
• 中文别名: 1-溴-3-氯-2,2-二甲氧基丙烷；1-溴-3-氯-2,2-二甲氧基
• 英文名称: 1-bromo-3-chloro-2,2-dimethoxypropane
• 英文别名: 1-bromo-3-chloro-2,2-dimethoxy-propane；1-Chlor-3-brompropan-2-on-dimethylketal；1-Bromo-3-chloro-2,2-dimethoxypropan；1-Brom-3-chlor-2,2-dimethoxy-propan
• CAS: 22089-54-9
• 化学式: C₅H₁₀BrClO₂
• 分子量: 217.49
• InChiKey: FWGJNRCQZRSHGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  69-71 °C(lit.)
• 沸点：
  223.7±35.0 °C(Predicted)
• 密度：
  1.465±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避免与氧化剂和酸接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2911000000
• WGK Germany：
  3
• 储存条件：
  请将物品存放在密闭、通风干燥的地方。

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Bromo-3-chloro-2,2-dimethoxypropane
CAS-No. : 22089-54-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Dermal (Category 4)
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H332 Harmful if inhaled.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ protective clothing.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C5H10BrClO2
Molecular Weight : 217,49 g/mol
Component Concentration
1-Bromo-3-chloro-2,2-dimethoxypropane
CAS-No. 22089-54-9 -

---

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
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
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

---

Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas, Hydrogen bromide gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

---

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
Safety glasses with side-shields conforming to EN166 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, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 69 - 71 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
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 no data available
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

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents, acids
Hazardous decomposition products
Other decomposition products - no data available

---

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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation Harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin Harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

---

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

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

---

---

SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1 -溴-3-氯-2,2 -二甲氧基 在 potassium amide 作用下， 以 氨 为溶剂， 生成 7,7-dimethoxy-3-methylbicyclo[4.1.0]hept-3-ene
  参考文献：
  名称：

  Dual reactivity of 3,3-dimethoxycyclopropene

  摘要：

  DOI：

  10.1021/jo00424a021
• 作为产物：
  描述：

  甲醇 、 2,3-二氯丙烯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以84%的产率得到1 -溴-3-氯-2,2 -二甲氧基
  参考文献：
  名称：

  ?-1,3-diheteran-5-ones 氢化物还原的面非对映选择：外前沿轨道扩展模型的应用

  摘要：

  为了进一步证明基态构象和轨道性质在 1,3-diheteran-5-ones（杂原子 = O、S、Se）、2-苯基-1,3-二硒烷的 π 面非对映选择中的重要性已经合成了 5-一 (3a)，并研究了它在氢化物还原时的 π 面非对映选择。3a 的 π 面立体选择的实验数据已通过外部前沿轨道扩展模型（EFOE 模型）成功合理化。该酮的 LiAlH4 还原过渡态的内在反应坐标 (IRC) 和自然键轨道 (NBO) 分析强烈表明过渡态效应（羰基部分的扭转应变和涉及初始键的反周面效应） π-面非对映选择的传统理论模型；Felkin-Anh 模型和 Cieplak 模型）不对面部选择负责。© 2001 John Wiley & Sons, Inc. 杂原子化学 12:358–368, 2001

  DOI：

  10.1002/hc.1055

文献信息

• [DE] VERFAHREN ZUR HERSTELLUNG VON AZIDOALKYLAMINEN<br/>[EN] METHOD FOR PRODUCING AZIDOALKYL AMINES<br/>[FR] PROCEDE POUR PREPARER DES AZIDOALKYLAMINES
  申请人：DYNAMIT NOBEL GMBH

  公开号：WO2005097736A1

  公开（公告）日：2005-10-20

  Beschrieben wird ein Verfahren zur Herstellung von Azidoalkylaminen, bei dem in der ersten Verfahrensstufe ein bifunktionelles Alkan mit zwei unterschiedlich nucleofugen Gruppen mit einem Azid unter Abspaltung einer nucleofugen Gruppe zu einem monofunktionellen Azidoalkan und in der zweiten Stufe das monofunktionelle Azidoalkan mit einem primären oder sekundären Amin unter Abspaltung der zweiten nucleofugen Gruppe zum Azidoalkylamin umgesetzt wird.

  这是一种制备Azidoalkylamine的方法，第一步中使用一种具有两种不同亲核取代基团的双官能团烷基化合物与一个Azid反应，去除一个亲核取代基团，形成一个单官能团的Azidoalkane；第二步中，使用一个一级或二级胺与单官能团的Azidoalkane反应，去除第二个亲核取代基团，形成Azidoalkylamine。
• Thermal reactions of cyclopropenone ketals. Key mechanistic features and scope of the cycloaddition reactions of delocalized singlet vinylcarbenes: three-carbon 1,1-/1,3-dipoles
  作者：Dale L. Boger、Christine E. Brotherton

  DOI：10.1021/ja00281a041

  日期：1986.10
• PREPARATION AND THREE-CARBON + TWO-CARBON CYCLOADDITION OF CYCLOPROPENONE 1,3-PROPANEDIOL KETAL: 5,5-DICYANO-4-PHENYL-2-CYCLOPENTEN-1-ONE 1,3-PROPANEDIOL KETAL
  作者：Boger, Dale L.、Brotherton, Christine E.、Georg, Gunda I.

  DOI：10.15227/orgsyn.065.0032

  日期：——
• Synthesis and some reactions of 3,3-dimethoxycylopropene
  作者：Keith B. Baucom、George B. Butler

  DOI：10.1021/jo00976a012

  日期：1972.6
• BUTLER G. B.; HERRING K. H.; LEWIS P. L.; SHARPE V. V.; VEAZEY R. L., J. ORG. CHEM., 1977, 42, NO 4, 679-682
  作者：BUTLER G. B.、 HERRING K. H.、 LEWIS P. L.、 SHARPE V. V.、 VEAZEY R. L.

  DOI：——

  日期：——