85952-30-3 ((3,4-二氯苯基)甲磺酰氯,(3,4-Dichlorophenyl)methanesulfonyl chloride)

CAS号:
85952-30-3
中文名称:
(3,4-二氯苯基)甲磺酰氯
英文名称:
(3,4-Dichlorophenyl)methanesulfonyl chloride
安全信息:
分子式:
C7H5Cl3O2S
分子量:
259.537398099899

(3,4-二氯苯基)甲磺酰氯(85952-30-3)名称与标识符

名称

中文别名:
(3,4-二氯苯基)甲磺酰氯;(3,4-二氯苯基)甲烷磺酰氯;3,4-二氯苯基甲磺酰氯;3,4-二氯-α-甲苯磺酰氯;3,4-二氯苯甲烷磺酰氯;
英文别名:
(3,4-Dichlorophenyl)methanesulfonyl chloride;3,4-Dichlorobenzylsulfonyl chloride;(3,4-DICHLORO-PHENYL)-METHANESULFONYL CHLORIDE;[(3,4-DICHLOROPHENYL)METHYL]SULFONYL CHLORIDE;4-(3,4-Dimethoxy-phenyl)-3-methyl-1H-pyrazole;3,4-Dichlorobenzenemethanesulfonyl chloride (ACI);1-(3,4-Dichlorophenyl)methanesulfonyl chloride;3,4-Dichlorophenylmethanesulfonyl chloride;85952-30-3;CS-W014072;EN300-65746;[(3,4-dichlorophenyl)methyl]sulfonylchloride;(3,4-Dichlorophenyl)-methanesulfonyl chloride;3,4-dichlorophenylmethanesulfonylchloride;AR2927;3,4-Dichloro-alpha-toluenesulfonyl chloride;3,4-dichlorophenylmethyl sulfonyl chloride;benzenemethanesulfonyl chloride, 3,4-dichloro-;3,4-Dichlorobenzylsulfonyl chloride, 97%;3,4-dichlorophenyl-methanesulfonyl chloride;DB-016361;[(3,4-dichlorophenyl)methyl]sulphonyl chloride;SCHEMBL271305;AS-45481;MFCD01631929;AB09401;ALBB-027030;benzenemethanesulfonyl chloride, 3,4-dichloro;(3,4-Dichlorophenyl)methanesulfonylchloride;DTXSID80383267;DRYGYFAFCNDLEJ-UHFFFAOYSA-N;3,4-dichlorophenylmethanesufonylchloride;A841504;3,4-dichorophenylmethanesufonylchloride;GEO-01002;AKOS000130813;

标识符

MDL:
MFCD01631929
InChIKey:
DRYGYFAFCNDLEJ-UHFFFAOYSA-N
Inchi:
1S/C7H5Cl3O2S/c8-6-2-1-5(3-7(6)9)4-13(10,11)12/h1-3H,4H2
SMILES:
O=S(CC1C=C(Cl)C(Cl)=CC=1)(Cl)=O

(3,4-二氯苯基)甲磺酰氯(85952-30-3)物化性质

实验特性

  • LogP : 4.14280
  • PSA : 42.52000
  • 折射率 : 1.589
  • 沸点 : 353.1°C at 760 mmHg
  • 熔点 : 65-69 °C
  • 闪点 : 167.3°C
  • 颜色与性状 : White to Yellow Solid
  • 密度 : 1.601

计算特性

  • 精确分子量 : 257.90800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 257.908
  • 重原子数量 : 13
  • 复杂度 : 259
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.6
  • 拓扑分子极性表面积 : 42.5A^2

(3,4-二氯苯基)甲磺酰氯(85952-30-3)安全信息

(3,4-二氯苯基)甲磺酰氯(85952-30-3)海关数据

海关编码:
2904909090
海关数据:

中国海关编码:

2904909090

概述:

2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

(3,4-二氯苯基)甲磺酰氯(85952-30-3)推荐厂家 更多厂家(24)

公司名称手机号/电话联系人QQ微信询单
JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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上海甄准生物科技有限公司 15102117276
021-68920155
姜经理15102117276 3001090745
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单

(3,4-二氯苯基)甲磺酰氯(85952-30-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Design, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction
Nan, Xiang; et al, European Journal of Medicinal Chemistry, 2020, 200,
合成路线:1 步
反应条件:
参考文献:
Nickel-catalyzed desulfonative cross-coupling of benzylsulfonyl chlorides with arylsulfonyl chlorides for synthesis of asymmetric thioethers
Miao, Ren-Guan; et al, Cell Reports Physical Science, 2023, 4(4),
合成路线:1 步
反应条件:
参考文献:
Palladium-catalyzed reductive desulfonative aminocarbonylation of benzylsulfonyl chlorides with nitroarenes towards arylacetamides
Liu, Yongzhu; et al, Organic Chemistry Frontiers, 2022, 9(8), 2079-2083
合成路线:1 步
反应条件:
参考文献:
Access to distal meta-C-H functionalization of arylmethanesulfonic acid derivatives
Srinivas, Dasari; et al, Chemical Communications (Cambridge, 2023, 59(59), 9106-9109
合成路线:2 步
反应条件:
参考文献:
Nickel-catalyzed desulfonative cross-coupling of benzylsulfonyl chlorides with arylsulfonyl chlorides for synthesis of asymmetric thioethers
Miao, Ren-Guan; et al, Cell Reports Physical Science, 2023, 4(4),
合成路线:2 步
反应条件:
参考文献:
Palladium-catalyzed reductive desulfonative aminocarbonylation of benzylsulfonyl chlorides with nitroarenes towards arylacetamides
Liu, Yongzhu; et al, Organic Chemistry Frontiers, 2022, 9(8), 2079-2083

(3,4-二氯苯基)甲磺酰氯(85952-30-3) MSDS

基础信息

Name:(3 4-Dichlorophenyl)methanesulfonyl chloride Material Safety Data Sheet
Synonym:None Known
CAS:85952-30-3
Section 1 - Chemical Product ? MSDS Name:(3 4-Dichlorophenyl)methanesulfonyl chloride Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
85952-30-3(3,4-Dichlorophenyl)methanesulfonyl ch90+unlisted
Hazard Symbols: C
Risk Phrases: 14 29 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Reacts violently with water. Contact with water liberates toxic gas.
Causes burns.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

Section 4 - FIRST AID MEASURES
? Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil. In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. 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:

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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
DO NOT USE WATER! Do NOT get water inside containers. Contact professional fire-fighters immediately. Use dry chemical, dry sand, or carbon dioxide.

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. Avoid generating dusty conditions. Provide ventilation. Do not expose spill to water. Vacuum or sweep up material and place into a suitable, dry disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Do not allow water to get into the container because of violent reaction. Minimize dust generation and accumulation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale.
Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Keep container closed when not in use. Keep away from water.
Corrosives area. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use explosion-proof ventilation equipment. 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# 85952-30-3: 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. Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67-69 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5Cl3O2S
Molecular Weight: 259.55

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Combines vigorously or explosively with water. Reacts with water to form hydrogen chloride, a toxic and corrosive gas.
Conditions to Avoid:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, bases, alcohols, amines, water.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, carbon dioxide, chlorine.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 85952-30-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(3,4-Dichlorophenyl)methanesulfonyl chloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
? Ecotoxicity:
Fish: Pseudomonas putida:Fish: Pseudomonas putida:

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

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing group: II

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 29 Contact with water liberates toxic gas.
R 34 Causes burns.
Safety Phrases:
S 6 Keep under nitrogen.
S 22 Do not breathe dust.
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 85952-30-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 85952-30-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85952-30-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A