51939-71-0 (色满酸,3,4-dihydro-2H-1-benzopyran-2-carboxylic acid)

结构式:
CAS号:
51939-71-0
中文名称:
色满酸
英文名称:
3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
分子式:
C10H10O3
分子量:
178.184603214264

色满酸(51939-71-0)名称与标识符

名称

中文别名:
3,4-二氢-1-苯并吡喃-2-羧酸;苯并二氢吡喃-2-羧酸;色满酸;
英文别名:
Chromane-2-carboxylic acid;2H-1-Benzopyran-2-carboxylicacid, 3,4-dihydro-;3,4-dihydro-2H-chromene-2-carboxylic acid;2,3-dihydrobenzopyran 2-carboxylic acid;2-carboxychroman;2-chroman-carboxylic acid;3,4-dihydro-1-benzopyran-2-carboxylic acid;3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;acide chromanne carboxylique-2;Chroman-2-carboxylic acid;chroman-carboxylic acid;CCG-55377;DTXSID90901552;EN300-134546;(+/-)-Chroman-2-carboxylic acid;NoName_683;A828857;chromane-2-carboxylic acid, AldrichCPR;AS-35515;2-Chromanecarboxylic Acid;(-)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;Maybridge4_000177;chroman carboxylic acid;HMS1521I01;BCA93971;2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-;SCHEMBL229558;SR-01000644403-1;A802726;CS-0038563;MFCD00044719;SY064639;(+)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid;51939-71-0;SFLFCQJQOIZMHF-UHFFFAOYSA-N;chromancarboxylic acid;SB46037;FT-0623780;Z1198148530;AB01988;AKOS005208243;AMY4358;DTXSID20369080;IDI1_030759;F2108-0136;SB46874;3.4-dihydro-2H-1-benzopyran-2-carboxylic acid;2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-; 2-Chromancarboxylic acid (6CI); 3,4-Dihydro-2H-1-benzopyran-2-carboxylic acid; (+/-)-2-Chromancarboxylic acid; 3,4-Dihydro-1-benzopyran-2-carboxylic acid; Chromane-2-carboxylic acid;DB-007357;XH1150;

标识符

MDL:
MFCD00044719
InChIKey:
SFLFCQJQOIZMHF-UHFFFAOYSA-N
Inchi:
1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)
SMILES:
O1C2C=CC=CC=2CCC1C(=O)O

色满酸(51939-71-0)物化性质

实验特性

  • LogP : 1.46480
  • PSA : 46.53000
  • 折射率 : 1.575
  • 沸点 : 356.1°C at 760 mmHg
  • 熔点 : 98.5-100 ºC (ligroine )
  • 闪点 : 146.9°C
  • 溶解度 : 微溶 (1.4 g/L) (25 ºC),
  • 密度 : 1.276±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 178.06300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 178.063
  • 重原子数量 : 13
  • 复杂度 : 202
  • 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 : 1
  • 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) : 1.9
  • 拓扑分子极性表面积 : 46.5A^2

色满酸(51939-71-0)海关数据

海关编码:
2932999099
海关数据:

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

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%

色满酸(51939-71-0) MSDS

基础信息

Name:Chromane-2-carboxylic acid Material Safety Data Sheet
Synonym:None Known
CAS:51939-71-0
Section 1 - Chemical Product ? MSDS Name:Chromane-2-carboxylic acid Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
51939-71-0Chromane-2-carboxylic acid97+%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. May cause chemical conjunctivitis.
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:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
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. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 51939-71-0: 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: Solid
Color: Off white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 97.5 - 100.5 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: C10H10O3
Molecular Weight: 178.19

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Amines, strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 51939-71-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Chromane-2-carboxylic acid - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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.
WGK (Water Danger/Protection)
CAS# 51939-71-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51939-71-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51939-71-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A