6-氟硫代-4-色原酮

6-氟硫代-4-色原酮 基本信息
CAS号 21243-18-5 分子式 C9H7FOS
分子量 182.21500 精确质量  182.02000
PSA  42.37000 LogP  2.50420

基本信息 展开↓

CAS号:
21243-18-5
3D弹球模型:
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分子式:
C9H7FOS
分子量:
182.21500
中文名称:
6-氟硫代-4-色原酮
英文名称:
6-fluoro-2,3-dihydrothiochromen-4-one
中文别名:
6-氟硫代-4-色原酮;
6-氟-4-硫色满酮;
6-氟-2,3-二氢-4H-硫代色烯-4-酮
英文别名:
6-fluoro-2,3-dihydrothiochromen-4-one;
6-fluoro-4-thiochromanone;
6-fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one;
6-fluoro-2,3-dihydro-4h-thiochromen-4-one;
6-fluorothiochroman-4-one;
6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-one;
6-fluoro-1-thiochroman-4-one;
6-Fluoro-4-oxothiochroman
精确分子量/精确质量:
182.02000
极性分子表面积/PSA:
42.37000
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: NBBGHADNMPMHST-UHFFFAOYSA-N

物化性质展开↓

密度:
1.335 g/cm3
熔点:
89-92ºC
沸点:
304.3ºC at 760 mmHg
闪点:
137.8ºC
折射率:
1.6
蒸汽压:
0.000883mmHg at 25°C

安全信息展开↓

海关代码:
2932999099
危险类别码:
R36/37/38
安全说明:
26-36/37/39
危险标志:
Xi

合成路线查看所有的合成路线

  • 19543-85-2

    3-[(4-氟苯基)硫代]丙酸

  • ~84%

  • 21243-18-5

    6-氟硫代-4-色原酮

  • 3887-61-4

    sodium salt of 4-fluorothiophenol

  • 21243-18-5

    6-氟硫代-4-色原酮

  • 371-42-6

    对氟苯硫酚

  • 21243-18-5

    6-氟硫代-4-色原酮

MSDS 展开↓

Name: 6-Fluoro-2 3-dihydro-4h-thiochromen-4-one 95+% Material Safety Data Sheet
Synonym: 6-Fluorothiochroman-4-on
CAS: 21243-18-5
Section 1 - Chemical Product   MSDS Name:6-Fluoro-2 3-dihydro-4h-thiochromen-4-one 95+% Material Safety Data Sheet
Synonym:6-Fluorothiochroman-4-on

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21243-18-5 6-Fluoro-2,3-dihydro-4H-thiochromen-4- 95+% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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.
Store under an inert atmosphere.

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# 21243-18-5: 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
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 89 - 92 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: C9H7FOS
Molecular Weight: 182

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 sulfur, carbon dioxide, hydrogen fluoride gas, acrid smoke and fumes.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 21243-18-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Fluoro-2,3-dihydro-4H-thiochromen-4-one - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 21243-18-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21243-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21243-18-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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