氯氟磺酰 | 13637-84-8

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 中文名称: 氯氟磺酰
• 英文名称: fluorosulfonylchloride
• 英文别名: SO₂ClF；sulfuryl chlorofluoride；Sulfuryl chloride fluoride
• CAS: 13637-84-8
• 化学式: ClFO₂S
• 分子量: 118.516
• InChiKey: IXPAAHZTOUOJJM-UHFFFAOYSA-N

物化性质

• 熔点：
  -125 °C
• 沸点：
  7 °C
• 密度：
  1.623 g/cm3(Temp: 0 °C)
• 闪点：
  113 °C
• 溶解度：
  与H2O反应
• 稳定性/保质期：

  化学性质：氟氯化硫酰在酸性条件下稳定，用三氯化铝作催化剂与苯进行Friedel Crafts反应时，只有极微量的氯苯生成，大部分的苯未参与反应。在自由基反应条件下（如过氧化苯甲酰），它与己烷、甲苯、苯酚、1,2-二氯乙烯等都不发生反应。但氟氯化硫酰容易与碱性物质反应，在水中会逐渐水解生成H2SO4、HCl和HF。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 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：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 毒性数据

LCLo（小鼠）= 520 毫克/立方米/10分钟

LCLo (mice) = 520 mg/m3/10min

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险等级：
  2.3
• 危险品标志：
  T
• 危险类别码：
  R14
• 危险品运输编号：
  UN 2922 8/PG 1
• WGK Germany：
  3
• RTECS号：
  WT4900000
• 危险类别：
  2.3
• 安全说明：
  S26,S27,S28,S36/37/39,S45
• 储存条件：
  存放在-20°C的低温环境中，并保持阴凉干燥。

SDS

Name:	Sulfuryl chloride fluoride distilled 99% Material Safety Data Sheet
Synonym:	Chloro fluoro sulfone; Chlorosulfonyl fluoride; Fluorosulfonyl chloride; Sulfonyl chloride fluoride; Sulfuryl chlorofluoride; Sulfuryl fluorochlorid
CAS:	13637-84-8

Section 1 - Chemical Product MSDS Name:Sulfuryl chloride fluoride distilled 99% Material Safety Data Sheet
Synonym:Chloro fluoro sulfone; Chlorosulfonyl fluoride; Fluorosulfonyl chloride; Sulfonyl chloride fluoride; Sulfuryl chlorofluoride; Sulfuryl fluorochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13637-84-8	Sulfuryl chloride fluoride, distilled	99	237-126-2

Hazard Symbols: C
Risk Phrases: 14 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Causes burns.Moisture sensitive.Corrosive.
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. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. May cause systemic effects. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Chronic:
Effects may be delayed.

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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.
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 immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. If breathing is difficult, give oxygen.
Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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. Reacts violently with water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Do NOT use water directly on fire. Use dry chemical. Do NOT get water inside containers.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Use only in a well-ventilated area. Keep container tightly closed.
Do not get on skin or in eyes. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam. Do not breathe vapor.
Storage:
Corrosives area. Deep freeze (below -20C). Keep containers tightly closed. Store protected from moisture.

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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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 13637-84-8: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides).2.5 mg/m3 TWA (as F) (listed under Fluorides).
France - VME: (listed as fluorides): 2.5 mg/m3 VME (as F) Germany: (listed as fluorides): 2.5 mg/m3 VME (as F) Malaysia: (listed as fluorides): 2.5 mg/m3 TWA (as F) Netherlands: (listed as fluorides): 3.5 mg/m3 STEL (as F) 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 minimize contact with skin.
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: Clear liquid
Color: clear, colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 7 deg C
Freezing/Melting Point: -124.7 deg C
Autoignition Temperature: Not applicable.
Flash Point: 109 deg C ( 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Reacts.
Specific Gravity/Density: 1.623 g/cm3
Molecular Formula: ClFO2S
Molecular Weight: 118.51

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Reacts violently with water.
Conditions to Avoid:
Incompatible materials, moisture, excess heat.
Incompatibilities with Other Materials:
Strong acids, bases, alcohols, heat, moisture, water.
Hazardous Decomposition Products:
Hydrogen chloride, oxides of sulfur, hydrogen fluoride gas, fluoride fumes, chloride fumes, halides.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13637-84-8: WT4900000 LD50/LC50:
Not available.
Carcinogenicity:
Sulfuryl chloride fluoride, distilled - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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 LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 13637-84-8: No information available.
Canada
CAS# 13637-84-8 is listed on Canada's NDSL List.
CAS# 13637-84-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13637-84-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

氟氯化硫酰一般不作溶剂使用。由于其对有机化合物的溶解能力强、熔点低，在酸性条件下稳定，近年来常被用作低温研究中的阴碳离子溶剂。

用途简介

暂无具体用途介绍。

用途

氟氯化硫酰一般不作溶剂使用。由于其对有机化合物的溶解能力强、熔点低，在酸性条件下稳定，近年来常被用作低温研究中的阴碳离子溶剂。

反应信息

• 作为反应物：
  描述：

  二氯三氟化锑 、 氯氟磺酰 以 neat (no solvent) 为溶剂， 生成 硫酰氟
  参考文献：
  名称：

  442.羰基和硫酰氟与氯氟化物的制备和反应

  摘要：

  DOI：

  10.1039/jr9480002183
• 作为产物：
  描述：

  二氧化硫 在 potassium fluoride 、 氯 作用下， 反应 16.0h， 生成 氯氟磺酰
  参考文献：
  名称：

  非対称イミド三級アンモニウム塩の製造方法

  摘要：

  提供一种制备高选择性制造非对称亚磷酸酰胺三级铵盐的方法，该方法是通过在有机碱的存在下使式（2）中所示的亚磷酸酰胺与式（3）中所示的磺酰氯反应来制备式（1）中所示的非对称亚磷酸酰胺三级铵盐。【R1和R2各自独立地是卤素基、烷基、烷氧基等；式（3）中的R2至少一个是卤素基；R3是三甲基硅基或H；n为1或2；M1 n+为三级铵阳离子】。

  公开号：

  JP2018177670A
• 作为试剂：
  描述：

  在 氯氟磺酰 作用下， 以 乙醚 为溶剂， 以72 %的产率得到(E)-1-(4-chlorophenyl)-5-oxopent-1-ene-2-sulfonyl fluoride
  参考文献：
  名称：

  通过电子供体-受体光活化对亚甲基环丁醇进行自由基开环氟磺酰化

  摘要：

  报道了一种可见光介导的无催化剂和无添加剂的亚甲基环丁醇自由基开环氟磺酰化方法。硫酰氯氟化物充当 FSO 2自由基前体以及电子受体，与各种亚甲基环丁醇底物形成电子供体-受体复合物。该方法显示了完全区域选择性和 ( E )-立体选择性开环过程，以 38-77% 的产率提供各种 FSO 2 -官能化 γ,δ-不饱和羰基。对产品多样化的选择进行了研究，以证明这些磺酰氟产品的多功能性。

  DOI：

  10.1021/acs.orglett.4c01989

文献信息

• Method of producing acid fluorides from acid chlorides
  申请人：Solvay Fluor und Derivate GmbH

  公开号：US06723874B1

  公开（公告）日：2004-04-20

  Acid fluorides, for example carboxylic acid fluorides and sulfuryl fluoride are produced by reacting the corresponding acid chlorides with hydrogen fluoride adducts of ammonium fluoride or amine hydrofluorides (which act as a catalyst or as a fluorination agent). Consumed HF adducts may be regenerated with HF.

  酸氟化物，例如羧酸氟化物和磺酰氟，是通过将相应的酸氯化物与氨氟化物或胺氢氟化物的氢氟酸加合物反应产生的（这些加合物作为催化剂或氟化剂）。消耗的氢氟酸加合物可以用氢氟酸再生。
• Process for the preparation of
  申请人：Hoechst Aktiengesellschaft

  公开号：US04625024A1

  公开（公告）日：1986-11-25

  6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide and its non-toxic salts are prepared by reacting acetoacetamide with an S-O compound of the formula I FSO.sub.2 Y (I) wherein Y.dbd.F, Cl, --OSO.sub.2 F or --OSO.sub.2 Cl, preferably only F, in the presence of bases. The non-toxic salts--especially the potassium salt--are valuable synthetic sweeteners.

  通过将乙酰乙酰胺与具有公式I FSO.sub.2 Y（I）的S-O化合物反应，可以制备6-甲基-3,4-二氢-1,2,3-噁嗪-4-酮2,2-二氧化物及其无毒盐。其中Y为F、Cl、--OSO.sub.2 F或--OSO.sub.2 Cl，最好仅为F，在碱的存在下。这些无毒盐，特别是钾盐，是有价值的合成甜味剂。
• Halogenated Benzene Cation Radicals
  作者：Matthias J. Molski、Monther A. Khanfar、Hashem Shorafa、Konrad Seppelt

  DOI：10.1002/ejoc.201201691

  日期：2013.5

  The benzene cation radicals [C6F5-CF3]+, [1,4-C6F4(CF3)2]+, [1,2,4,5-C6H2Cl4]+, [C6F5-C6F5]+, and [C6Br6]+ have been obtained as salts with fluoroarsenic and fluoroantimony counterions. Their structures have been obtained by single-crystal structure determinations, and supported by ESR measurements and DFT calculations. [C6F5-CF3]+, [1,4-C6F4(CF3)2]+, and [1,2,4,5-C6H2Cl4]+ have the predicted bisallyl

  苯阳离子自由基 [ - ]+、[1,4-C6F4(CF3)2]+、[1,2,4,5-C6H2Cl4]+、[ - ]+ 和 [C6Br6]+ 具有以与氟砷和氟锑抗衡离子的盐形式获得。它们的结构已通过单晶结构测定获得，并得到 ESR 测量和 DFT 计算的支持。[ - ]+、[1,4- ( )2]+ 和 [1,2,4,5-C6H2Cl4]+ 具有预测的双烯丙基型结构。[ - ]+ 可以描述为具有醌型，与中性 C6F5- 相比，具有增强的中心 C-C 键和更小的二面角。[C6Br6]+ 是 [C6F6]+、[C6Cl6]+ 和 [C6I6]+ 之间缺失的链接。它具有 Jahn-Teller 畸变，虽然比 [C6F6]+ 和 [C6Cl6]+ 弱，但与保留在正六边形结构中的 [C6I6]+ 相比。
• The [2+2] cycloaddition product of perhalogenated cyclopentadienyl cations: structural characterization of salts of the [C₁₀Cl₁₀]²⁺ and [C₁₀Br₁₀]²⁺ dications
  作者：Susanne Margot Rupf、Patrick Pröhm、Moritz Malischewski

  DOI：10.1039/d0cc04226a

  日期：——

  Instead of monomeric cyclopentadienyl cations, the low-temperature reaction of hexachloro- and hexabromocyclo-pentadiene (C5Cl6 and C5Br6) with powerful Lewis acids SbF5 and AsF5 in SO2ClF yields salts of perhalogenated dications [C10Cl10][Sb3F16]2 and [C10Br10][As2F11]2 which are characterized via single crystal X-ray diffraction and NMR spectroscopy. Additionally, this reactivity is rationalized

  六氯和六溴环戊二烯（C 5 Cl 6和C 5 Br 6）与强力路易斯酸SbF 5和AsF 5在SO 2 ClF中的低温反应代替单体环戊二烯基阳离子，生成全卤代盐[C 10 CL 10 ] [Sb的3 ˚F 16 ] 2和[C 10溴10 ] [如2 ˚F 11 ] 2其特征通过单晶X射线衍射和NMR光谱。另外，该反应性通过量子化学计算合理化。
• Formation and Crystal Structure of [(F5TeOXe)+·SO2ClF][Sb(OTeF5)6-]
  作者：Peer Ulferts、Konrad Seppelt

  DOI：10.1002/zaac.200400137

  日期：2004.9

  [(F5TeOXe)+·SO2ClF][Sb(OTeF5)6-] Xe(OTeF5)2 reagiert mit Sb(OTeF5)3 unter Bildung von [Xe2(OTeF5)3]+ [Sb(OTeF5)6]-. Aus SO2ClF Losung kristallisiert ein gelbes Solvat [F5TeOXe]+SO2ClF· [Sb(OTeF5)6]-: a = 1028.1(1), b = 1050.9(1), c = 1780.2(3) pm, α = 98.07(1), β = 97.68(1), γ = 105.82(1)°, Raumgruppe . Die O-Xe···O Einheit ist praktisch linear (176.1(2)°) und die beiden Xe-O-Abstande sind deutlich verschieden:

  Xe (OTeF5) 2 在形成[Xe2 (OTeF5) 3] + [Sb (OTeF5) 6] - 的情况下与Sb (OTeF5) 3 反应。从 SO2ClF 溶液中形成黄色溶剂化物 [F5TeOXe] + SO2ClF [Sb (OTeF5) 6] - 形成晶体数据：a = 1028.1 (1), b = 1040.9 (1), c = 1780.2 (3) pm, α = 98.07 (1), β = 97.68 (1), γ = 105.82 (1) °, 空间群。O-Xe…O片段基本上是线性的（176.1（2）°），两个Xe-O距离相差很大197.1（4）和242.6（4）pm。[(F5TeOXe) + · SO2ClF] [Sb (OTeF5) 6-] Xe (OTeF5) 2 的形成和晶体结构与Sb (OTeF5) 3 反应形成[Xe2 (OTeF5) 3] + [Sb (OTeF5)

表征谱图