10242-11-2 (5-溴苯并呋喃-2-羧酸,5-Bromo-1-benzofuran-2-carboxylic acid)

CAS号:
10242-11-2
中文名称:
5-溴苯并呋喃-2-羧酸
英文名称:
5-Bromo-1-benzofuran-2-carboxylic acid
分子式:
C9H5BrO3
分子量:
241.038202047348

5-溴苯并呋喃-2-羧酸(10242-11-2)名称与标识符

名称

中文别名:
5-溴苯并呋喃-2-羧酸;5-溴-1-苯并呋喃-2-羧酸;5-溴-苯并呋喃-2-酸;
英文别名:
5-Bromobenzofuran-2-carboxylic acid;5-BROMO-1-BENZOFURAN-2-CARBOXYLIC ACID;2-Benzofurancarboxylicacid, 5-bromo-;5-Bromo benzo furan 2-carboxylic acid;5-Bromobenzo[b]furan-2-carboxylic acid;2-benzofurancarboxylic acid, 5-bromo-;5-Bromo-2-carboxy-1-benzofuran;5-Bromo-benzofuran-2-carboxylic acid;5-BROMO-2-BENZOFURANCARBOXYLIC ACID;ZERO/004865;QKUWZCOVKRUXKX-UHFFFAOYSA-N;EBD50922;MF;SCHEMBL2198563;AKOS000103501;EN300-37049;Z111570846;UNJ;H11401;FT-0636663;BDBM50345231;10242-11-2;MB00634;BP-20072;Q27466925;5-Bromobenzofuran-2-carboxylicacid;MFCD00093973;F3099-6012;CS-0062572;SY045625;W-204455;DTXSID20352750;2Y-0823;CHEMBL1738916;AMY40743;DB-026322;ALBB-024355;STK319356;BBL011977;

标识符

MDL:
MFCD00093973
InChIKey:
QKUWZCOVKRUXKX-UHFFFAOYSA-N
Inchi:
1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
SMILES:
BrC1C=CC2=C(C=1)C=C(C(=O)O)O2

5-溴苯并呋喃-2-羧酸(10242-11-2)物化性质

实验特性

  • LogP : 2.89350
  • PSA : 50.44000
  • 折射率 : 1.679
  • 沸点 : 370.9 ℃ at 760 mmHg
  • 熔点 : 257-260 ºC
  • 闪点 : 178.1°C
  • 密度 : 1.784

计算特性

  • 精确分子量 : 239.94200
  • 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 : 239.942
  • 重原子数量 : 13
  • 复杂度 : 219
  • 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) : 3.1
  • 拓扑分子极性表面积 : 50.4

5-溴苯并呋喃-2-羧酸(10242-11-2)安全信息

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5-溴苯并呋喃-2-羧酸(10242-11-2)上下游

5-溴苯并呋喃-2-羧酸(10242-11-2) MSDS

基础信息

Name:5-Bromobenzo[b]furan-2-carboxylic acid Material Safety Data Sheet
Synonym:
CAS:10242-11-2
Section 1 - Chemical Product ? MSDS Name:5-Bromobenzo[b]furan-2-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
10242-11-25-Bromobenzo[b]furan-2-carboxylic acid97+%unlisted
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
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:

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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 10242-11-2: 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: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 253 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: C9H5BrO3
Molecular Weight: 241.04

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 10242-11-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromobenzo[b]furan-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
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: XN
Risk Phrases:
R 22 Harmful if swallowed.
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# 10242-11-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 10242-11-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10242-11-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A