2-蒽磺酰氯 | 17407-98-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酰卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 2-蒽磺酰氯
• 英文名称: anthracene-2-sulfonyl chloride
• 英文别名: 2-anthracenesulfonyl chloride；Anthracen-2-sulfonylchlorid；anthracen-2-ylsulfonyl chloride
• CAS: 17407-98-6
• 化学式: C₁₄H₉ClO₂S
• 分子量: 276.743
• InChiKey: FZAQROFXYZPAKI-UHFFFAOYSA-N

物化性质

• 熔点：
  142.5℃
• 沸点：
  467.8±14.0 °C(Predicted)
• 密度：
  1.424±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于乙腈

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• 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：
  2

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
• WGK Germany：
  3
• 危险品运输编号：
  UN 3261 8
• 海关编码：
  2904909090
• 危险标志：
  GHS05
• 危险性描述：
  H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310
• 储存条件：
  室温

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-Anthracenesulfonyl chloride
CAS-No. : 17407-98-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H314 Causes severe skin burns and eye damage.
Precautionary statement(s)
P280 Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310 Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C14H9ClO2S
Molecular Weight : 276,74 g/mol
Component Concentration
2-Anthracenesulfonyl chloride
CAS-No. 17407-98-6 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Consult a
physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Sulphur oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. Moisture sensitive.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: light yellow
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3261 IMDG: 3261 IATA: 3261
UN proper shipping name
ADR/RID: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (2-Anthracenesulfonyl chloride)
IMDG: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (2-Anthracenesulfonyl chloride)
IATA: Corrosive solid, acidic, organic, n.o.s. (2-Anthracenesulfonyl chloride)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-蒽磺酰氯 在 N-甲基吗啉 、 硫化氢 、 一水合肼 作用下， 以 吡啶 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 50.0h， 生成 (2S)-3-[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]-2-(anthracen-2-ylsulfonylamino)-N-cyclopentyl-N-methylpropanamide
  参考文献：
  名称：

  Structural Modification of an Orally Active Thrombin Inhibitor, LB30057: Replacement of the D-Pocket-binding Naphthyl Moiety

  摘要：

  An amidrazonophenylalanine derivative LB30057 (2) was identified as a potent (K-i = 0.38 nM), selective, and orally active thrombin inhibitor. As a continuation of studies into benzamidrazone-based thrombin inhibitors, we have structurally modified compound 2 by replacing the naphthyl group with a variety of hydrophobic moieties. This study led to discovery of several compounds with significantly enhanced potency in thrombin inhibition without sacrificing selectivity against trypsin and oral absorption. The highest activity was obtained with compound 23 (K-i = 0.045 nM). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00044-3
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 三氯氧磷 、 三氯化磷 作用下， 生成 2-蒽磺酰氯
  参考文献：
  名称：

  Woroshzow; Koslow, Zhurnal Obshchei Khimii, 1937, vol. 7, p. 739,742

  摘要：

  DOI：

文献信息

• Molecular Tunnel Junctions Based on π-Conjugated Oligoacene Thiols and Dithiols between Ag, Au, and Pt Contacts: Effect of Surface Linking Group and Metal Work Function
  作者：BongSoo Kim、Seong Ho Choi、X.-Y. Zhu、C. Daniel Frisbie

  DOI：10.1021/ja207751w

  日期：2011.12.14

  The tunneling resistance and electronic structure of metal-molecule-metal junctions based on oligoacene (benzene, naphthalene, anthracene, and tetracene) thiol and dithiol molecules were measured and correlated using conducting probe atomic force microscopy (CP-AFM) in conjunction with ultraviolet photoelectron spectroscopy (UPS). Nanoscopic tunnel junctions (~10 nm(2)) were formed by contacting oligoacene

  使用导电探针原子力显微镜 (CP-AFM) 结合紫外光电子测量并关联了基于寡并苯（苯、萘、蒽和并四苯）硫醇和二硫醇分子的金属-分子-金属结的隧道电阻和电子结构光谱学（UPS）。纳米级隧道结 (~10 nm(2)) 是通过接触平面 Ag、Au 或 Pt 基板上的低聚并苯自组装单层 (SAM) 与金属化 AFM 尖端（Ag、Au 或 Pt）而形成的。低偏置 (<0.2 V) 结电阻 (R) 随分子长度 (s) 呈指数增加，即 R = R(0) exp(βs)，其中 R(0) 是接触电阻，β 是隧道衰减因素。低聚并苯二硫醇的 R(0) 值比低聚并苯硫醇低 2 个数量级。同样，β 值为 0。对于二硫醇系列，每环 5 个 (0.2 Å(-1))，对于单硫醇系列，每环 1.0 个 (0.5 Å(-1))，这表明 β 不仅是分子骨架的一个特征，而且受化学（金属-S）触点的数量。随着单硫醇和二硫醇结的接触功函数
• Compounds
  申请人：Gore Paul Martin

  公开号：US20090270355A1

  公开（公告）日：2009-10-29

  The present invention relates to a compound which is N-(4-4-[(6-butyl-8-quinolinyl)oxy]-1-piperidinyl}butyl)ethanesulfonamide and salts thereof, processes for its preparation, to compositions containing it and to its use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种化合物，即N-(4-4-[(6-丁基-8-喹啉基)氧基]-1-哌啶基}丁基)乙烷磺酰胺及其盐，以及其制备方法、含有该化合物的组合物，以及在治疗各种疾病（如过敏性鼻炎）中的用途。
• General synthetic methods for the preparation of pinwheel receptors
  作者：Joseph Raker、Timothy E Glass

  DOI：10.1016/s0040-4020(01)01075-4

  日期：2001.12

  sequence for the preparation of the sensor framework was found to be intolerant of most functionality. Therefore, an unfunctionalized framework is constructed and recognition elements are selectively installed via electrophilic substitution on an electronically differentiated key intermediate. A divergent synthesis of a general class of chemical sensors emerges. This synthetic method is highlighted by

  描述了用作协同荧光化学传感器的双三苯甲基二炔的合成。人们发现，最方便的传感器框架准备过程不能忍受大多数功能。因此，构建了一个未功能化的框架，并通过亲电取代将识别元素选择性地安装在电子区分的关键中间体上。出现了一般化学传感器类别的分歧综合。这种合成方法的突出特点是其简单性和模块化性，允许引入各种识别元件和荧光团。
• [EN] PHTHALAZINE AND PYRIDO [3,4-D] PYRIDAZ INE COMPOUNDS AS H1 RECEPTOR ANTAGONISTS<br/>[FR] PHTHALAZINE ET COMPOSÉS PYRIDO-[3,4-D]PYRIDAZINE COMME ANTAGONISTES DU RÉCEPTEUR H1
  申请人：GLAXO GROUP LTD

  公开号：WO2009047336A1

  公开（公告）日：2009-04-16

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及式(I)的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的用途。
• SUBSTITUTED QUINOLINE DERIVATIVES AS H1 RECEPTOR ANTAGONISTS
  申请人：Gore Paul Martin

  公开号：US20110281909A1

  公开（公告）日：2011-11-17

  The present invention relates to compounds of formula (I), and salts thereof, processes for their preparation, to compositions containing them and to their use in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及公式（I）的化合物及其盐，其制备方法，含有它们的组合物以及它们在治疗各种疾病（如过敏性鼻炎）中的应用。