溴化硅(IV) | 7789-66-4

• 物质功能分类: 化学试剂 - 硅烷试剂
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 类金属盐
• 中文名称: 溴化硅(IV)
• 中文别名: 溴化硅；四溴化硅；溴化硅（IV）
• 英文名称: tetrabromosilane
• 英文别名: silicon tetrabromide；silyl tetrabromide
• CAS: 7789-66-4
• 化学式: Br₄Si
• 分子量: 347.702
• InChiKey: AIFMYMZGQVTROK-UHFFFAOYSA-N

物化性质

• 熔点：
  5 °C (lit.)
• 沸点：
  153 °C (lit.)
• 密度：
  2.8 g/mL at 25 °C (lit.)
• 蒸气密度：
  2.8 (vs air)
• 闪点：
  154°C
• 溶解度：
  与H2O反应
• 稳定性/保质期：
  如果按照规定使用和储存，则不会分解。请避免接触水或潮湿环境，以免发生反应，特别是与金属钾剧烈反应时要格外小心。

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

溴主要通过吸入进入人体，但也可以通过皮肤接触。溴盐可以摄入。由于溴的活性，它会迅速形成溴化物并可能沉积在组织中，取代其他卤素。

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

溴是一种强大的氧化剂，能够从粘膜的水分中释放出氧自由基。这些自由基也是有力的氧化剂，能够造成组织损伤。此外，氢溴酸和溴酸的形成将导致二次刺激。溴离子还已知会影响中枢神经系统，导致溴中毒。这被认为是溴离子取代神经递质和传输系统中的氯离子的结果，从而影响许多突触过程。（L626, L627, A543）

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类不具有致癌性（未被国际癌症研究机构IARC列名）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

溴蒸气会引起刺激和对粘膜的直接损害。元素溴也会烧伤皮肤。溴化物离子是一种中枢神经系统抑制剂，长期暴露会产生神经元效应。这被称为溴中毒，可能导致从中睡意到昏迷、恶病质、昏迷、反射丧失或病理反射、阵挛性癫痫、震颤、共济失调、神经敏感性丧失、瘫痪、眼乳头水肿、言语异常、脑水肿、谵妄、攻击性和精神病的中心反应。

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L626）；吸入（L626）；皮肤给药（L626）

Oral (L626) ; inhalation (L626) ; dermal (L626)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

溴蒸气会引起刺激和对粘膜的直接损害。症状包括流泪、流鼻涕、眼部刺激伴有来自咽和上呼吸道的粘液分泌、咳嗽、呼吸困难、窒息、喘息、鼻出血和头痛。溴离子是一种中枢神经系统抑制剂，会引起共济失调、言语不清、震颤、恶心、呕吐、乏力、眩晕、视觉障碍、不稳、头痛、记忆和注意力受损、定向障碍和幻觉。这被称为溴中毒。

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S27,S28,S36/37/39
• 危险类别码：
  R34
• WGK Germany：
  3
• 危险品运输编号：
  UN 3264 8/PG 2
• 包装等级：
  II
• 危险类别：
  8
• 储存条件：
  在干性保护气体中处理， 确保贮藏容器密封。 存放在密闭容器中，并置于阴凉、干燥处。

SDS

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Section 1: Product Identification
Chemical Name: Silicon (IV) bromide, 99+%
CAS Registry Number: 7789-66-4
Formula: SiBr4
EINECS Number: 232-182-4
Chemical Family: metal halide
Synonym: Silicon tetrabromide

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 7789-66-4 100% no data no data

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Section 3: Hazards Identification
Extremely destructive to tissue of the respiratory tract, eyes and skin. Material hydrolyzes in contact with
Emergency Overview:
moisture releasing corrosive hydrogen bromide fumes.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
Eye Contact: Liquid and vapors will cause burns to the eyes and blindness.
Skin Contact: Corrosive to skin. Contact can lead to redness, pain, blistering, ulceration, and scar formation.
Inhalation of choking fumes will result in burns to the respiratory tract, chemical pneumonitis and pulmonary
Inhalation:
edema.
Ingestion: Ingestion is unlikely due to pungent choking odor. Causes burns to the gastrointestinal system.
May be harmful if swallowed, inhaled or absorbed through the skin. Material is extremely destructive to tissue
Acute Health Affects:
of the mucous membranes and upper respiratory tract, eyes and skin.
Chronic Health Affects: No information available on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: none required
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit corrosive hydrogen bromide fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with powdered sodium bicarbonate, lime, or calcium carbonate and swept up.
Spill and Leak Procedures: Spillage in areas not adequately ventilated may require an evacuation of area. Emergency response teams
will require self-contained breathing apparatus.

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SECTION 7: Handling and Storage
Store material in a tightly sealed bottle away from moisture. If possible, handle material in an efficient fume
Handling and Storage:
hood. Exposure to the atmosphere may lead to degradation of the product.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determinew proper type of glove.
Ventilation: If possible, handle the material in an efficient fume hood.
In the absence of adequate ventilation a respirator should be worn. The use of a respiratory requires a
Respirator:
Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: If possible, handle the material in an efficient fume hood.
Additional Protection: Protective work clothing.

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SECTION 9: Physical and Chemical Properties
Color and Form: colorless liq.
Molecular Weight: 347.72
Melting Point: 5.4°
Boiling Point: 154°C
Vapor Pressure: no data
Specific Gravity: 2.772
Odor: Pungent odor.
Solubility in Water: reacts with water

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: Water, alcohols, strong bases, and active metals.
Decomposition Products: with moisture: hydrogen bromide and hydrobromic acid.

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Corrosive liquids, N.O.S.
Hazard Class (CFR): 8
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 1760
Shipping Name (IATA): Corrosive liquid, N.O.S.
Hazard Class (IATA): 8
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 1760

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SECTION 15: Regulatory Information
TSCA: Listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

四碘化硅的制备装置与三氯甲硅烷相同，在600℃下使溴蒸气与硅反应生成。首先，将硅装入反应管内，并用除氧并充分干燥的氮气置换系统，随后加热至600℃。接着，通入已提纯并干燥至50℃的氮气，使其饱和于溴中，再送入反应管内与硅反应。对生成产物进行分馏提纯后，可得到无色液体。如需进一步提纯，可以添加汞。

合成制备方法

四碘化硅同样在600℃下通过使溴蒸气与硅反应来制备。具体步骤为：将硅装入反应管内，并用除氧并充分干燥的氮气置换系统，加热至600℃后，通入已提纯并干燥至50℃的氮气饱和的溴，然后送入反应管与硅进行反应。产物经分馏提纯可得到无色液体。如有必要，还可以通过添加汞进一步提纯。

用途简介

（此处内容缺失，请补充或说明具体用途）

反应信息

• 作为反应物：
  描述：

  溴化硅(IV) 在 (CH₃)3SiCNS 作用下， 生成 三甲基溴硅烷
  参考文献：
  名称：

  Exchange Reactions in Volatile Isocyanates and Isothiocyanates of Silicon, Germanium and Phosphorus

  摘要：

  DOI：

  10.1021/ja01103a016
• 作为产物：
  描述：

  氢溴酸 生成 溴化硅(IV)
  参考文献：
  名称：

  IXARA, JOSINAO;KOGAVA, TEHNKO

  摘要：

  DOI：
• 作为试剂：
  描述：

  甲基锂 在 溴化硅(IV) 作用下， 以 正戊烷 为溶剂， 反应 2.0h， 以69.1%的产率得到methyltribromosilane
  参考文献：
  名称：

  A Simple One-Pot Synthesis of Methyltribromosilane

  摘要：

  A simple one-pot synthesis of methyltribromosilane has been developed. The straightforward reaction of a slight excess of silicon tetrabromide with one equivalent of powdered methyllithium in refluxing pentane produces methyltribromosilane in high yields.

  DOI：

  10.1080/10426500701323382

文献信息

• Preparation and Reactions of Base-Free Bis(1,2,4-tri-<i>tert</i>-butylcyclopentadienyl)uranium Oxide, Cp‘₂UO
  作者：Guofu Zi、Li Jia、Evan L. Werkema、Marc D. Walter、Jochen P. Gottfriedsen、Richard A. Andersen

  DOI：10.1021/om050406q

  日期：2005.8.1

  Reduction of the uranium metallocene [η5-1,2,4-(Me3C)3C5H2]2UCl2 (1), Cp‘2UCl2, in the presence of 2,2‘-bipyridyl and sodium naphthalene gives the dark green metallocene complex Cp‘2U(bipy) (6), which reacts with p-tolyl azide or pyridine-N-oxide to give Cp‘2UN(p-tolyl) (7) or Cp‘2U(O)(py) (8), respectively. The Lewis acid BPh3 precipitates Ph3B(py) and gives the base-free oxo Cp‘2UO (10), which crystallizes

  铀金属茂的还原[ η 5 -1,2,4-（ME 3 C）3 c ^ 5 ħ 2 ] 2 UCL 2（1）中，Cp” 2 UCL 2，在2,2'-联吡啶的存在下和钠萘给出了深绿色金属茂配合物的Cp ' 2 U（联吡啶）（6），其与发生反应p -甲苯基叠氮化物或吡啶ñ氧化物，得到的Cp' 2 ù N（p -甲苯基）（7）或CP” 2 U（O）（py）（8）， 分别。路易斯酸BPH 3个沉淀博士3 B（PY），并给出了游离碱氧代的Cp” 2 UO（10），其从戊烷中结晶。所述oxometallocene 10表现为与我的亲核试剂3的SiX试剂，但它不表现出与乙炔环加成行为，这表明极性共振结构的Cp“ 2 Ü + -O -占主导地位的双键的共振结构的Cp” 2 ù O.
• Silicon Tetrakis(trifluoromethanesulfonate): A Simple Neutral Silane Acting as a Soft and Hard Lewis Superacid
  作者：André Hermannsdorfer、Matthias Driess

  DOI：10.1002/anie.202103414

  日期：2021.6.7

  leads to [L2Si(OTf)4] complexes (L=isocyanide, thioether and carbonyl compounds) with retention of all Si−OTf bonds. In contrast, it can cleave C−X bonds (X=F, Cl) of hard organic Lewis bases with a high tendency to form SiX4 (X=F, Cl) after halide/triflate exchange. Most notable, Si(OTf)4 allows a gentle oxydefluorination of mono- and bis(trifluoromethyl)benzenes, resulting in the formation of the corresponding

  据报道，原始硅四（三氟甲磺酸）Si(OTf) 4的简单合成和分离是第一种适用于软和硬路易斯碱的中性硅基路易斯超强酸。其 OTf 基团具有双重功能：它们是优异的离去基团，并调节对软路易斯碱和硬路易斯碱的反应程度。暴露于软路易斯供体时，Si(OTf) 4产生[L 2 Si(OTf) 4 ]配合物（L=异氰化物、硫醚和羰基化合物），并保留所有Si−OTf键。相反，它可以裂解硬有机路易斯碱的CX键（X = F，Cl），并且在卤化物/三氟甲磺酸酯交换后很容易形成SiX 4 （X = F，Cl）。最值得注意的是，Si(OTf) 4允许单（三氟甲基）苯和双（三氟甲基）苯发生温和的氧化脱氟反应，从而形成相应的苯甲酰鎓物种，并通过弱配位的[Si(OTf) 6 ]二价阴离子进行稳定。
• Preparation and Reactions of Base-Free Bis(1,2,4-tri-<i>tert</i>-butylcyclopentadienyl)uranium Methylimide, Cp‘₂UNMe, and Related Compounds
  作者：Guofu Zi、Laura L. Blosch、Li Jia、Richard A. Andersen

  DOI：10.1021/om050427k

  日期：2005.9.1

  The uranium metallocenes [η5-1,3-(Me3E)2C5H3]2UMe2 (E = C, Si) react with NH3 to give the dimers [η5-1,3-(Me3E)2C5H3]2U}2(μ-NH)2 (E = C (1), Si (2)) but with p-toluidine to give the monomeric diamides [η5-1,3-(Me3E)2C5H3]2U(NH-p-tolyl)2 (E = C (3), Si (4)). The diamides [η5-1,3-(Me3E)2C5H3]2U(NH-p-tolyl)2 (E = C (3), Si (4)) do not eliminate p-toluidine but sublime intact at 140 °C in a vacuum. The

  铀金属茂[ η 5 -1,3-（ME 3 E）2 ç 5 ħ 3 ] 2 UME 2（E = C，Si）的与NH反应3，得到二聚物[ η 5 -1,3-（箱3 E）2 ç 5 ħ 3 ] 2 U】2（μ -NH）2（E = C（1），硅（2）），但与p -甲苯胺，得到单体二酰胺[ η 5 -1,3- -（我3 E）2C 5 H 3 ] 2 U（NH- p-甲苯基）2（E = C（3），Si（4））。二酰胺[ η 5 -1,3-（ME 3 E）2 ç 5 ħ 3 ] 2 U（NH- p -甲苯基）2（E = C（3），硅（4））不排除p -甲苯胺但在真空中于140°C升华完好无损。铀金属茂[ η 5 -1,2,4-（ME 3 C）3 c ^ 5 ħ 2] 2 UME 2种发生反应与RNH 2，得到[ η 5 -1,2,4-（ME 3 C）3 c ^ 5 ħ 2 ] 2 U（NHR）2（R =我（8），物理信道2（9）
• Reaction of silicon difluoride with halogens: a reinvestigation
  作者：Bettadapura S. Suresh、James Charlton Thompson

  DOI：10.1039/dt9870001123

  日期：——

  Reactions of SiF2 with halogens have been reinvestigated by both co-condensation and gas-phase methods. The co-condensation method yields a number of fluorohalogenosilanes including mono-, di-, and higher silane derivatives. These compounds contain SiF, SiF2, and SiF3 units. The reactivity towards SiF2 decreases from chlorine through bromine to iodine. While chlorine and bromine give rise to a number

  SiF 2与卤素的反应已通过共缩合和气相方法进行了重新研究。该共缩合方法产生许多氟代卤代硅烷，包括单，二和高级硅烷衍生物。这些化合物包含SiF，SiF 2和SiF 3单元。对SiF 2的反应性从氯到溴再到碘。尽管氯和溴会生成许多氟代卤代硅烷，但碘只能生成甲硅烷衍生物。相反，气相反应没有进行到任何明显的程度。产品已通过质谱和19 F和29进行了表征Si nmr光谱。许多是第一次被发现。
• A study of the BrO and BrO2 radicals with vacuum ultraviolet photoelectron spectroscopy
  作者：J. M. Dyke、S. D. Gamblin、N. Hooper、E. P. F. Lee、A. Morris、D. K. W. Mok、F. T. Chau

  DOI：10.1063/1.481271

  日期：2000.4.8

  The BrO radical, prepared by the Br+O3 reaction, has been investigated by ultraviolet photoelectron spectroscopy. Two vibrationally resolved bands were observed corresponding to the ionizations BrO+(X 3Σ−)←BrO(X 2Π) and BrO+(a 1Δ)←BrO(X 2Π). These assignments are supported by the results of complete active space self-consistent field/multireference configuration interaction (CASSCF/MRCI) calculations

  通过紫外光电子能谱研究了由 Br+O3 反应制备的 BrO 自由基。观察到两个振动分辨带对应于电离 BrO+(X 3Σ-)←BrO(X 2Π) 和 BrO+(a 1Δ)←BrO(X 2Π)。这些分配得到了作为这项工作的一部分执行的完整活动空间自洽场/多参考配置交互 (CASSCF/MRCI) 计算的结果的支持。这些带的绝热电离能分别测量为（10.46±0.02）和（11.21±0.02）eV。测量这些带中的振动分离可以估计离子态 (840±30) cm-1 和 (880±30) cm-1 的振动常数，并且振动包络的 Franck-Condon 模拟给出了(1.635±0.005) 和 (1.641±0.) 的离子态键长。005) A 分别代表 X 3Σ− 和 BrO+ 的 1Δ 态。发现 O+Br2 反应在 (10.26±0.02) eV 处产生与反应产物相关的带。比较...