5-Indoleboronic acid pinacol ester

Modify Date: 2024-01-02 17:32:01

5-Indoleboronic acid pinacol ester Structure
5-Indoleboronic acid pinacol ester structure
Common Name 5-Indoleboronic acid pinacol ester
CAS Number 269410-24-4 Molecular Weight 243.109
Density 1.1±0.1 g/cm3 Boiling Point 396.0±15.0 °C at 760 mmHg
Molecular Formula C14H18BNO2 Melting Point 120-125 °C(lit.)
MSDS N/A Flash Point 193.3±20.4 °C

 Names

Name 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 396.0±15.0 °C at 760 mmHg
Melting Point 120-125 °C(lit.)
Molecular Formula C14H18BNO2
Molecular Weight 243.109
Flash Point 193.3±20.4 °C
Exact Mass 243.143066
PSA 34.25000
LogP 2.46710
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.562
Water Solubility Insoluble

 MSDS

Name: 5-(4 4 5 5-Tetramethyl-1 3 2-dioxaborolan- 2-yl)-1H-indole Material Safety Data Sheet
Synonym: Indole-5-boronic acid pinacol este
CAS: 269410-24-4
Section 1 - Chemical Product MSDS Name:5-(4 4 5 5-Tetramethyl-1 3 2-dioxaborolan- 2-yl)-1H-indole Material Safety Data Sheet
Synonym:Indole-5-boronic acid pinacol este

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
269410-24-4 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaboro 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.

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# 269410-24-4: 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
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114 - 116.5 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C14H18BNO2
Molecular Weight: 243.11

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 269410-24-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan- 2-yl)-1H-indole - 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: 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# 269410-24-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 269410-24-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 269410-24-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36-S36/37/39
WGK Germany 3
HS Code 2933990090

 Synthetic Route

~92%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Billingsley, Kelvin L.; Barder, Timothy E.; Buchwald, Stephen L. Angewandte Chemie - International Edition, 2007 , vol. 46, # 28 p. 5359 - 5363

~83%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Prieto, Monica; Zurita, Esther; Rosa, Esmeralda; Munoz, Lourdes; Lloyd-Williams, Paul; Giralt, Ernest Journal of Organic Chemistry, 2004 , vol. 69, # 20 p. 6812 - 6820

~%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Commonwealth Scientific and Industrial Research Organisation Patent: US6680401 B1, 2004 ; Location in patent: Page column 68 ;

~74%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Chow, Wing Kin; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee Chemistry - A European Journal, 2011 , vol. 17, # 25 p. 6913 - 6917

~%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Deodhar, Mandar; Black, David Stc.; Shiu-Hin Chan, Daniel; Kumar, Naresh Heterocycles, 2010 , vol. 80, # 2 p. 1267 - 1274

~%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Prieto, Monica; Zurita, Esther; Rosa, Esmeralda; Munoz, Lourdes; Lloyd-Williams, Paul; Giralt, Ernest Journal of Organic Chemistry, 2004 , vol. 69, # 20 p. 6812 - 6820

~%

5-Indoleboronic acid pinacol ester Structure

5-Indoleboronic...

CAS#:269410-24-4

Literature: Chow, Wing Kin; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee Chemistry - A European Journal, 2011 , vol. 17, # 25 p. 6913 - 6917

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-Indolylboronic acid,pinacol ester
5-Indoleboronic Acid Pinacol Ester
Indole-5-boronic acid pinacol ester
1H-Indole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
1H-Indole-5-boronic acid pinacol ester
pinacol indol-5-ylboronate
MFCD03789263
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
5-Indoleboronicacidpinacolester
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