4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈

4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈 基本信息
CAS号 120085-63-4 分子式 C13H15NO7
分子量 297.26100 精确质量  297.08500
PSA  111.92000 LogP  0.21918

基本信息 展开↓

CAS号:
120085-63-4
3D弹球模型:
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分子式:
C13H15NO7
分子量:
297.26100
中文名称:
4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈
英文名称:
[(2R,3R,4R)-3,4-diacetyloxy-6-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
中文别名:
4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈
英文别名:
[(2R,3R,4R)-3,4-diacetyloxy-6-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate;
[(2R,3R,4R)-4-Acetyloxy-2-(acetyloxymethyl)-6-cyano-3,;
4,5,7-Tri-O-acetyl-2,6-anhydro-3-deoxy-D-lyxo-hept-2-enononitrile
精确分子量/精确质量:
297.08500
极性分子表面积/PSA:
111.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OPOUWJFXZRRHOV-JHJVBQTASA-N

物化性质展开↓

密度:
1.29g/cm3
沸点:
397.8ºC at 760 mmHg
闪点:
174ºC
折射率:
1.497
蒸汽压:
1.54E-06mmHg at 25°C

安全信息展开↓

安全说明:
S24/25

合成路线查看所有的合成路线

  • 83497-42-1

    2,3,4,6-TETRA-O-ACETYL-1-BROMO-1-DEOXY-β-D-GALACTOPYRANOSYL CYANIDE

  • ~78%

  • 120085-63-4

    4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈

  • 52443-07-9

    [(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-cyanooxan-2-yl]methyl acetate

  • ~69%

  • 120085-63-4

    4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈

  • 83497-42-1

    2,3,4,6-TETRA-O-ACETYL-1-BROMO-1-DEOXY-β-D-GALACTOPYRANOSYL CYANIDE

  • ~20%

  • 120085-63-4

    4,5,7-O-三乙酰基-2,6-脱水-3-脱氧-D-来苏庚-2-烯腈

  • +

  • 73014-31-0

    2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl cyanide

MSDS 展开↓

Name: 4 5 7-Tri-O-acetyl-2 6-anhydro-3-deoxy-D-l yxo-hept-2-enononitrile Material Safety Data Sheet
Synonym:
CAS: 120085-63-4
Section 1 - Chemical Product   MSDS Name:4 5 7-Tri-O-acetyl-2 6-anhydro-3-deoxy-D-l yxo-hept-2-enononitrile Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
120085-63-4 4,5,7-Tri-O-acetyl-2,6-anhydro-3-deoxy unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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. Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 120085-63-4: Personal Protective Equipment Eyes: Not available.
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: Solid or liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C13H15NO7
Molecular Weight: 297.26

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 120085-63-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5,7-Tri-O-acetyl-2,6-anhydro-3-deoxy-D-l yxo-hept-2-enononitrile - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 120085-63-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 120085-63-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 120085-63-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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