2,3-二溴丁酸 | 600-30-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,3-二溴丁酸
• 英文名称: 2,3-dibromobutanoic acid
• 英文别名: 2,3-dibromo-butyric acid；2,3-Dibrom-buttersaeure；α.β-Dibrombuttersaeure；2,3-Dibromobutyric acid
• CAS: 600-30-6
• 化学式: C₄H₆Br₂O₂
• 分子量: 245.898
• InChiKey: HESQKTULJLBDRF-UHFFFAOYSA-N

物化性质

• 熔点：
  86-90 °C
• 沸点：
  100-110°C 2mm
• 密度：
  1.9671 (rough estimate)
• 闪点：
  100-110°C/2mm
• 稳定性/保质期：

  性质与稳定性：在常温常压下，该物质不会分解产生其他产物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 危险类别码：
  R34
• 危险品运输编号：
  3261
• 海关编码：
  2915900090
• 包装等级：
  II
• 危险类别：
  8
• 安全说明：
  S26,S28A
• 储存条件：
  贮存： 将密封的药器储存在密封的主要容器中，并放置于阴凉、干燥处。

SDS

Name:	2 3-Dibromobutyric Acid 98% Material Safety Data Sheet
Synonym:	None known
CAS:	600-30-6

Section 1 - Chemical Product MSDS Name:2 3-Dibromobutyric Acid 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
600-30-6	2,3-Dibromobutyric Acid	98	209-992-1

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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:

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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. Use water spray to keep fire-exposed containers cool. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes.
Extinguishing Media:
Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray.
Cool containers with flooding quantities of water until well after fire is out.

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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:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Avoid ingestion and inhalation. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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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# 600-30-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 86.00 - 88.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H6Br2O2
Molecular Weight: 245.90

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 600-30-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dibromobutyric Acid - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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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

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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 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 600-30-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 600-30-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 600-30-6 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：

  2,3-二溴丁酸 在 双(噻吩-2-基)二碲化物 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 乙醇 、 水 为溶剂， 以75%的产率得到巴豆酸
  参考文献：
  名称：

  邻位二溴化物的催化脱溴

  摘要：

  使用硼氢化钠和催化量的双（2-噻吩基）二碲化物将许多邻位二溴化物脱溴。

  DOI：

  10.1016/s0040-4039(00)87681-9
• 作为产物：
  描述：

  巴豆酸 在 溴 作用下， 以 氯仿 为溶剂， 以95%的产率得到2,3-二溴丁酸
  参考文献：
  名称：

  Matveeva; Erin; Kurz, Russian Journal of Organic Chemistry, 1997, vol. 33, # 8, p. 1065 - 1067

  摘要：

  DOI：

文献信息

• Carbene-catalyzed LUMO activation of alkyne esters for access to functional pyridines
  作者：Chengli Mou、Jichang Wu、Zhijian Huang、Jun Sun、Zhichao Jin、Yonggui Robin Chi

  DOI：10.1039/c7cc08039e

  日期：——

  A carbene-catalyzed LUMO activation of α,β-unsaturated alkyne esters is reported. This catalytic process allows for effective reactions of alkyne esters with enamides to synthesize functional pyridines via simple protocols. A previously unexplored unsaturated alkyne acyl azolium intermediate is involved in the key step of the reaction.

  报道了卡宾催化的α，β-不饱和炔烃的LUMO活化。该催化过程允许炔烃酯与烯酰胺的有效反应，以通过简单的方案合成功能性吡啶。反应的关键步骤涉及先前未开发的不饱和炔烃酰基偶氮中间体。
• α-Bromo-β,γ-unsaturated ketenes for the synthesis of α-benzylamino-β,γ-unsaturated acids
  作者：Giuliana Cardillo、Serena Fabbroni、Luca Gentilucci、Rossana Perciaccante、Alessandra Tolomelli

  DOI：10.1016/j.tetasy.2003.12.029

  日期：2004.2

  The synthesis of α-benzylamino-β,γ-unsaturated acids has been developed starting from α-bromo-α,β-unsaturated chlorides. Via treatment of the acyl chlorides with (R)-pantolactone in the presence of TEA, the in situ formation of the deconjugated ketenes and their direct transformation into chiral esters was performed. The substitution of bromine with benzylamine, followed by acid hydrolysis, allowed

  从α-溴-α，β-不饱和氯化物开始发展了α-苄氨基-β，γ-不饱和酸的合成。通过在TEA存在下用（R）-泛内酯处理酰氯，原位形成解偶联的烯酮并将其直接转化为手性酯。用苄胺取代溴，然后进行酸水解，可以得到对映异构体富集的α-苄氨基-β，γ-不饱和酸。
• Selective debromination of activated vicinal dibromides by copper promoted by copper(II)
  作者：N. Vijayashree、Ashoka G. Samuelson

  DOI：10.1016/s0040-4039(00)93995-9

  日期：1992.1

  A mild method for the conversion of vicinal dibromides to olefins by using a mixture of copper metal powder and copper(II) perchlorate and is described.

  通过使用铜金属粉末和高氯酸铜（II）的混合物，温和的方法将邻位二溴化物转化为烯烃的方法，并进行了描述。
• The Action of Methylmagnesium Iodide on Methyl α-Phenylcinnamate and a Synthesis of 1,1-Dimethyl-2-phenylindene
  作者：C. F. Koelsch、Paul R. Johnson

  DOI：10.1021/ja01244a020

  日期：1943.4
• 461. Alkenylation employing lithium alkenyls. Part V. The formation and some reactions of cis-propenyl-lithium
  作者：E. A. Braude、J. A. Coles

  DOI：10.1039/jr9510002078

  日期：——

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