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二甲基砜茂烷 | 1003-78-7

中文名称
二甲基砜茂烷
中文别名
2,4-二甲基环丁砜;1,1-二氧化-2,4-二甲基四氢噻吩;2,4-二甲基四亚甲基砜;2,4-二甲基四氢噻吩-1,1-二氧化物;2,4-二甲基噻吩烷;二甲基环丁硫砜
英文名称
2.4-Dimethylsulfolan
英文别名
2,4-dimethylsulfolane;2,4-dimethylthiolane 1,1-dioxide
二甲基砜茂烷化学式
CAS
1003-78-7
化学式
C6H12O2S
mdl
MFCD00005485
分子量
148.226
InChiKey
WKFQMDFSDQFAIC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    −3 °C(lit.)
  • 沸点:
    281 °C(lit.)
  • 密度:
    1.136 g/mL at 25 °C(lit.)
  • 闪点:
    294 °F
  • 稳定性/保质期:
    在常温常压下保持稳定,应避免与强氧化剂接触。

计算性质

  • 辛醇/水分配系数(LogP):
    1
  • 重原子数:
    9
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    42.5
  • 氢给体数:
    0
  • 氢受体数:
    2

ADMET

毒理性
  • 副作用
神经毒素 - 其他中枢神经系统神经毒素
Neurotoxin - Other CNS neurotoxin
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

  • 危险品标志:
    T
  • 安全说明:
    S26,S36/37/39,S45
  • 危险类别码:
    R25
  • WGK Germany:
    3
  • 危险品运输编号:
    UN 2810 6
  • RTECS号:
    XN0525000
  • 海关编码:
    2934999090

SDS

SDS:9a494de179229982f02b08c71883d515
查看
Name: 2 4-Dimethylsulfolane 95% Material Safety Data Sheet
Synonym: 2,4-Dimethyltetrahydrothiophene Dioxide; Thiophene, Tetrahydro-2,4-Dimethyl-, 1,1-Dioxide
CAS: 1003-78-7
Section 1 - Chemical Product MSDS Name:2 4-Dimethylsulfolane 95% Material Safety Data Sheet
Synonym:2,4-Dimethyltetrahydrothiophene Dioxide; Thiophene, Tetrahydro-2,4-Dimethyl-, 1,1-Dioxide

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1003-78-7 Dimethyl Sulfolane 95 213-716-5
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
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.
Notes to Physician:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 1003-78-7: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 281 - 281 deg C @ 760.00mmHg
Freezing/Melting Point: -3 deg C
Autoignition Temperature: Not available.
Flash Point: 138-145C
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.1360g/cm3
Molecular Formula: C6H12O2S
Molecular Weight: 148.22

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, ignition sources, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1003-78-7: XN0525000 LD50/LC50:
CAS# 1003-78-7: Oral, mouse: LD50 = 140 mg/kg; Oral, rabbit: LD50 = 115 mg/kg.
Carcinogenicity:
Dimethyl Sulfolane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


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

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
S 24/25 Avoid contact with skin and eyes.
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# 1003-78-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1003-78-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1003-78-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A


制备方法与用途

用途

2,4-二甲基环丁砜可用作液-液及气-液萃取过程中的溶剂。

文献信息

  • PREPARATION OF FOSAMPRENAVIR CALCIUM
    申请人:Mandava Venkata Naga Brahmeshwara Rao
    公开号:US20110224443A1
    公开(公告)日:2011-09-15
    Process for preparation of fosamprenavir and its intermediate salts using novel phthalimide intermediates.
    使用新型邻苯二甲酰亚胺中间体制备福氨普利韦及其中间盐的过程。
  • Reactive azo dyes, their preparation and their use
    申请人:Ehrenberg Stefan
    公开号:US20050159592A1
    公开(公告)日:2005-07-21
    The present invention relates to reactive dyes of the general formula (1) where Y is a heterocyclic reactive group of the general formula (2) or (3) where X 1 to X 5 are each as defined in claim 1, processes for their preparation and their use for dyeing and printing hydroxyl- and/or carboxamido-containing materials.
    本发明涉及具有通用公式(1)的反应性染料 其中 Y是具有通用公式(2)或(3)的杂环反应基团 其中X 1 至X 5 分别如权利要求 1 中所定义, 它们的制备过程以及它们用于染色的过程和印刷含有羟基和/或氨基甲酸的材料。
  • CYCLIC SULFONIC ACID ESTER COMPOUND, NON-AQUEOUS ELECTROLYTE SOLUTION, AND LITHIUM ION SECONDARY BATTERY USING SAME
    申请人:NEC CORPORATION
    公开号:US20160322667A1
    公开(公告)日:2016-11-03
    The present invention relates to a non-aqueous electrolyte solution characterized by containing at least one type of cyclic sulfonic acid ester compound represented by general formula (1). According to the present invention, a non-aqueous electrolyte solution capable of improving battery characteristics can be provided. (In the formula, R 1 to R 4 are each independently a hydrogen atom, a fluorine atom, an alkyl group having 1-6 carbon atoms or an alkoxy group having 1-6 carbon atoms, and Z is a substituted or unsubstituted alkylene group having 1-6 carbon atoms, a substituted or unsubstituted fluoroalkylene group having 1-6 carbon atoms, or a divalent organic group having 2-6 carbon atoms in which alkylene unit(s) or fluoroalkylene unit(s) are bonded via one or more ether bonds.)
    本发明涉及一种非水性电解质溶液,其特征在于含有至少一种由通用公式(1)表示的环状磺酸酯化合物。根据本发明,可以提供一种能够改善电池特性的非水性电解质溶液。(在公式中,R1至R4各自独立为氢原子,氟原子,具有1-6个碳原子的烷基或具有1-6个碳原子的烷氧基,而Z是具有1-6个碳原子的取代或不取代的亚烷基,具有1-6个碳原子的取代或不取代的氟烷基,或具有2-6个碳原子的二价有机基团,其中亚烷基单元或氟烷基单元通过一个或多个醚键连接。)
  • PREPARATION OF LUBIPROSTONE
    申请人:Jackson Mark
    公开号:US20130184476A1
    公开(公告)日:2013-07-18
    Aspects of the present application relate to process for the preparation of lubiprostone.
    本申请涉及鲁比前列酮的制备过程。
  • [EN] PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF<br/>[FR] PROCÉDÉS DE PRÉPARATION DE NIRAPARIB ET INTERMÉDIAIRES DE CELUI-CI
    申请人:TEVA PHARMA
    公开号:WO2019036441A1
    公开(公告)日:2019-02-21
    The present invention relates to novel procedures and novel intermediates useful in the synthesis of Niraparib or any salt thereof.
    本发明涉及用于合成尼拉帕尼布或其任何盐的新型程序和新型中间体。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

苯甲酸,4-(1,3-二噁烷-2-基)- 甲基四氢-2-噻吩羧酸酯 环丁砜 烯丙基-(3-甲基-1,1-二氧代-四氢-1lambda*6*-噻吩-3-基)-胺 氯(四氢噻吩)金(I) 四甲基亚砜 四氢噻吩二醇 四氢噻吩-3-酮 四氢噻吩-3-羧酸-1,1-二氧 四氢噻吩-2,5-二酮 四氢噻吩-1,1-二亚基二胺 四氢噻吩 四氢-噻吩-3-醇 四氢-N-甲基-N-亚硝基-3-噻吩胺1,1-二氧化物 四氢-3-噻吩羧酸甲酯 四氢-3-噻吩羧酸 四氢-3-噻吩磺酰氯 1,1-二氧化物 四氢-3-噻吩硫醇1,1-二氧化物 四氢-3-噻吩甲酰氯1,1-二氧化物 四氢-3-噻吩甲腈1,1-二氧化物 四氢-3-噻吩基甲基丙烯酸酯 四氢-3,4-噻吩二胺1,1-二氧化物 四氢-2-噻吩羧酸 四亚甲基-D8砜 噻吩,四氢-2,2,5,5-四甲基- 八氟四氢噻吩 1,1-二氧化物 全氟四氢噻吩 二甲基砜茂烷 二氢-5,5-二甲基噻吩-3(2H)-酮 二氢-2-甲基-3(2H)-噻吩酮 乙基四氢-3-噻吩羧酸酯 Γ--硫代丁内酯 beta-乙基-beta-甲基-硫代丁内酯 alpha-乙基,alpha-甲基-硫代丁内酯 [[[(四氢噻吩1,1-二氧化物)-3-基]亚氨基]二(亚甲基)]二膦酸 [(1,1-二氧代四氢-3-噻吩基)甲基]胺 [(1,1-二氧代-3-四氢噻吩基)氨基]二硫代甲酸钾盐 N-烯丙基四氢-3-噻吩胺1,1-二氧化物 N-丁基-N-(1,1-二氧代四氢噻吩-3-基)胺盐酸盐 N-(1,1-二氧代四氢噻吩-3-基)乙酰胺 N'-(1,1-二氧代-四氢噻吩-3-基)-N,N-二甲基-乙烷-1,2-二胺 7-硫杂双环[2.2.1]庚-5-烯-2-羧酸 5-氧代四氢-2-噻吩羧酸 5-氧代-四氢噻吩-3-羧酸甲酯 5-[(1R,2S,5S)-7-氧代-3-硫杂-6,8-二氮杂双环[3.3.0]辛-2-基]戊酰胺 4a,8alpha-(甲桥硫代甲桥)萘10,10-二氧化物 4-肼基四氢噻吩-3-醇1,1-二氧化物 4-甲基氨基-1,1-二氧代-四氢-1lambda*6*-噻吩-3-醇 4-甲基-3-氧代四氢噻吩 4-溴二氢噻吩-3(2H)-酮 1,1-二氧化物