3-溴-1,1-二苯丙酮 | 33609-25-5

• 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: 3-溴-1,1-二苯丙酮
• 英文名称: 3-bromo-1,1-diphenylpropan-2-one
• 英文别名: 3-bromo-1,1,-diphenyl-2-propanone；1-bromo-3,3-diphenylpropan-2-one；1-bromo-3,3-diphenyl-2-propanone；3-bromo-1,1-diphenyl-acetone；3-Brom-1,1-diphenyl-aceton；3-bromo-1,1-diphenyl-2-propanone；3-Bromo-1,1-diphenylacetone
• CAS: 33609-25-5
• 化学式: C₁₅H₁₃BrO
• 分子量: 289.172
• InChiKey: MXUDDMSHZFPMLF-UHFFFAOYSA-N

物化性质

• 熔点：
  64 °C
• 沸点：
  364.9±27.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2914700090

SDS

Name:	3-Bromo-1 1-diphenylacetone 90+% Material Safety Data Sheet
Synonym:	None Known
CAS:	33609-25-5

Section 1 - Chemical Product MSDS Name:3-Bromo-1 1-diphenylacetone 90+% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
33609-25-5	3-Bromo-1,1-diphenylacetone	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing.
Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 33609-25-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H13BrO
Molecular Weight: 289.17

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Amines, bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 33609-25-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Bromo-1,1-diphenylacetone - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 33609-25-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33609-25-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33609-25-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-溴-1,1-二苯丙酮 在 甲醇 、 sodium tetrahydroborate 、 (R,R)-(-)-N,N-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane diaminocobalt(II) 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 146.17h， 生成 (2R)-2-benzhydryloxirane
  参考文献：
  名称：

  AZA-PYRIDONE COMPOUNDS AND USES THEREOF

  摘要：

  本文揭示了氮杂吡啶酮化合物，包括一种或多种氮杂吡啶酮化合物的药物组合物，以及合成这些化合物的方法。本文还揭示了使用氮杂吡啶酮化合物改善和/或治疗疾病和/或病况的方法，包括流感病毒感染在内的正黏液病毒感染。

  公开号：

  US20150072982A1
• 作为产物：
  描述：

  1,1-二苯基丙酮 在 溴 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 生成 3-溴-1,1-二苯丙酮
  参考文献：
  名称：

  3-(.alpha.-Substituted-benzyl)-2,3-dihydrothiazolo

  摘要：

  这份披露描述了某些新颖的3-(α-取代苄基)-2,3-二氢噻唑并[3,2-a][1,3]二氮杂环-3-醇，这些化合物可用作利尿剂。

  公开号：

  US04340734A1

文献信息

• Microwave-assisted one-pot synthesis and anti-biofilm activity of 2-amino-1H-imidazole/triazole conjugates
  作者：Hans Steenackers、Denis Ermolat'ev、Tran Thi Thu Trang、Bharat Savalia、Upendra K. Sharma、Ami De Weerdt、Anamik Shah、Jozef Vanderleyden、Erik V. Van der Eycken

  DOI：10.1039/c3ob42282h

  日期：——

  A microwave-assisted protocol was developed for the construction of 2-amino-1H-imidazole/triazole conjugates with anti-biofilm activity.

  开发了一种微波辅助协议，用于构建具有抗生物膜活性的2-氨基-1H-咪唑/三唑共轭物。
• Substituted 3-amino-1,1-diaryl-2-propanols as potential antidepressant agents
  作者：Judith A. Clark、Michael S. G. Clark、Derek V. Gardner、Laramie M. Gaster、Michael S. Hadley、David Miller、Anwer Shah

  DOI：10.1021/jm00197a018

  日期：1979.11

  discovery that 3-(dimethylamino)-1,1-diphenyl-2-propanol hydrobromide (1) possesses potent reserpine-prevention activity in mice, a series of analogues of 1 was synthesized and evaluated as potential antidepressant agents. Several routes to analogues of 1 were evaluated, the most generally applicable of which was the regiospecific ring opening of a suitably functionalized 1,1-diaryl-2,3-epoxypropane (obtained

  在发现3-（二甲基氨基）-1,1-二苯基-2-丙醇氢溴酸盐（1）在小鼠中具有有效的利血平预防活性后，合成了一系列类似物1，并被评估为潜在的抗抑郁药。评价了几种类似物1的途径，其中最普遍适用的是用适当的胺将适当官能化的1，1-二芳基-2，3-环氧丙烷（从相应的二苯甲酮分三个阶段获得）的区域特异性开环。评价了该系列中更有趣的化合物引起不期望的外周抗胆碱能作用的倾向，所有测试的化合物在该参数上的活性均明显低于丙咪嗪。基于其在抑郁症的生化和药理动物模型中的良好活性，
• Benzhydryl derivatives
  申请人：——

  公开号：US20030176430A1

  公开（公告）日：2003-09-18

  A compound of the formula (I): in which Z, R 1 , R 2 , R 8 , R 10 , R 11 , R 12 , R 13 and R 14 are each as defined in the description, or a salt thereof. The object compound of the present invention has pharmacological activities such as Tachykinin antagonism, and is useful for manufacture of a medicament for treating or preventing Tachykinin-mediated diseases.

  公式（I）的化合物：其中Z、R1、R2、R8、R10、R11、R12、R13和R14如描述中所定义，或其盐。本发明的目标化合物具有如Tachykinin拮抗等药理活性，并可用于制备用于治疗或预防Tachykinin介导疾病的药物。
• AgNO₂-mediated direct nitration of the quinoxaline tertiary benzylic C–H bond and direct conversion of 2-methyl quinoxalines into related nitriles
  作者：Degui Wu、Jian Zhang、Jianhai Cui、Wei Zhang、Yunkui Liu

  DOI：10.1039/c4cc01327a

  日期：——

  A unique method for AgNO₂-mediated direct nitration of the quinoxaline tertiary C–H bond and direct conversion of 2-methyl quinoxalines into 2-quinoxaline nitriles under oxidative conditions has been developed.

  已开发出一种独特的方法，可利用AgNO₂介导的直接硝化对喹啉三级C-H键进行硝化，并在氧化条件下直接将2-甲基喹啉转化为2-喹啉腈。
• Fused benzeneoxyacetic acid derivatives
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US05389666A1

  公开（公告）日：1995-02-14

  A fused benzeneoxyacetic acid derivative of the formula (I): ##STR1## R.sup.1 is OH, alkoxy, (alkyl)amino, residue of an amino acid; A is phenyl, alkyl substituted by phenyl, residue of an imidazole, imidazole-2-yloxy(thio), 2-oxoimidazole, pyrazole, oxadiazole, oxazole, triazole, isoxazole or isothiazole, in the group of benzene may be substituted by one to three of alkyl, alkoxy, halogen, nitro or trihalomethyl; e is 3-5; f is 1-3; p is 1-4; q is 0-2; r is 1-4; s is 0-3) and salts thereof possess an agonistic on PGI.sub.2 receptor, so it is useful for prevention and/or treatment of thrombosis, arteriosclerosis, inchemic heart diseases, gastric alcer and hypertention.

  一种公式（I）的融合苯氧基乙酸衍生物：##STR1## R.sup.1为OH、烷氧基、（烷基）氨基、氨基酸残基；A为苯基、被苯基取代的烷基、咪唑残基、咪唑-2-氧（硫）、2-氧代咪唑、吡唑、氧代二唑、氧唑、三唑、异氧唑或异硫唑，在苯环中可被1-3个烷基、烷氧基、卤素、硝基或三卤甲基取代；e为3-5；f为1-3；p为1-4；q为0-2；r为1-4；s为0-3）及其盐具有对PGI.sub.2受体的激动作用，因此对预防和/或治疗血栓形成、动脉粥样硬化、缺血性心脏病、胃溃疡和高血压有用。