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(S)-1,2,4-丁三醇三磺酸 | 99520-81-7

中文名称
(S)-1,2,4-丁三醇三磺酸
中文别名
(S)-1,2,4-丁三醇三甲磺酸
英文名称
(2S)-1,2,4-trimethanesulfonyloxybutane
英文别名
(s)-1,2,4-Butanetriol trimesylate;[(3S)-3,4-bis(methylsulfonyloxy)butyl] methanesulfonate
(S)-1,2,4-丁三醇三磺酸化学式
CAS
99520-81-7
化学式
C7H16O9S3
mdl
——
分子量
340.397
InChiKey
YJIUOKPKBPEIMF-ZETCQYMHSA-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:
    80.5°C
  • 沸点:
    446.19°C (rough estimate)
  • 密度:
    1.7714 (rough estimate)
  • 稳定性/保质期:
    遵照规定使用和储存,则不会发生分解。

计算性质

  • 辛醇/水分配系数(LogP):
    -1.1
  • 重原子数:
    19
  • 可旋转键数:
    9
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    155
  • 氢给体数:
    0
  • 氢受体数:
    9

安全信息

  • 海关编码:
    2905199090

SDS

SDS:7db6d603775cd3490d8dcdccb51e5130
查看
Name: (S)-1 2 4-Butanetriol Trimethanesulfonate 97-99% Material Safety Data Sheet
Synonym: (S)-Butane Trimesylate
CAS: 99520-81-7
Section 1 - Chemical Product MSDS Name:(S)-1 2 4-Butanetriol Trimethanesulfonate 97-99% Material Safety Data Sheet
Synonym:(S)-Butane Trimesylate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
99520-81-7 (S)-1,2,4-Butanetriol trimethanesulfon 97-99% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
Effects may be delayed.

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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with 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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

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# 99520-81-7: 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:
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: Crystalline powder
Color: white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 78 - 83 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H16O9S3
Molecular Weight: 340.2866

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 99520-81-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-1,2,4-Butanetriol trimethanesulfonate - Not listed by ACGIH, IARC, or NTP.

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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 99520-81-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 99520-81-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 99520-81-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

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文献信息

  • Stereospecific hydrolysis of optically active esters
    申请人:——
    公开号:US20030032818A1
    公开(公告)日:2003-02-13
    1 A new, more efficient and highly stereospecific process is described for the preparation of compounds with general formula (R)-(I) and of absolute configuration (R), where the groups M, W, Q and Q 1 are as defined in the description, starting from compounds of absolute configuration (S) by hydrolysis, in the presence of acids, of the corresponding esterified derivatives. The (R)-(I) products obtained with the process described herein are chiral synthons useful for the production of enanthiomerically pure drugs. The preparation of (R)-carnitine is also provided.
    本文介绍了一种新的、更高效、高度立体特异性的过程,用于制备通式为(R)-(I),绝对构型为(R)的化合物,其中M、W、Q和Q1的基团如描述中所定义,从绝对构型为(S)的化合物出发,通过在酸的存在下水解相应的酯化衍生物。本文所描述的(R)-(I)产物是手性合成物,可用于生产对映纯药物。还提供了(R)-肉碱的制备方法。
  • STEREOSPECIFIC HYDROLYSIS OF OPTICALLY ACTIVE ESTERS
    申请人:SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A.
    公开号:EP1244645B1
    公开(公告)日:2004-08-25
  • US6593478B2
    申请人:——
    公开号:US6593478B2
    公开(公告)日:2003-07-15
  • Shibata, Tomoyuki; Iino, Kimio; Sugimura, Yukio, Heterocycles, 1986, vol. 24, # 5, p. 1331 - 1346
    作者:Shibata, Tomoyuki、Iino, Kimio、Sugimura, Yukio
    DOI:——
    日期:——
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