4-Bromo-1H-indole-3-carboxylic acid

Modify Date: 2025-08-27 10:58:24

4-Bromo-1H-indole-3-carboxylic acid Structure
4-Bromo-1H-indole-3-carboxylic acid structure
Common Name 4-Bromo-1H-indole-3-carboxylic acid
CAS Number 110811-31-9 Molecular Weight 240.053
Density 1.8±0.1 g/cm3 Boiling Point 470.9±25.0 °C at 760 mmHg
Molecular Formula C9H6BrNO2 Melting Point 137-138ºC
MSDS N/A Flash Point 238.6±23.2 °C

 Names

Name 4-bromo-1H-indole-3-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 470.9±25.0 °C at 760 mmHg
Melting Point 137-138ºC
Molecular Formula C9H6BrNO2
Molecular Weight 240.053
Flash Point 238.6±23.2 °C
Exact Mass 238.958176
PSA 53.09000
LogP 2.76
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.749
InChIKey GJQQLCJFHKJARJ-UHFFFAOYSA-N
SMILES O=C(O)c1c[nH]c2cccc(Br)c12

 MSDS

Name: 4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid Material Safety Data Sheet
Synonym:
CAS: 110811-31-9
Section 1 - Chemical Product MSDS Name:4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
110811-31-9 4-Bromo-1-(tert-butoxycarbonyl)-1H-ind 97+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. 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# 110811-31-9: 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: Characteristic odour
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 154 - 156 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: C14H14BrNO4
Molecular Weight: 340.18

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 acids, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 110811-31-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and 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# 110811-31-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 110811-31-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 110811-31-9 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
HS Code 2933990090

 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

3-Carboxy-4-bromo-1H-indole
4-Bromo-1H-indole-3-carboxylic acid
1H-Indole-3-carboxylicacid,4-bromo
4-bromoindole-3-carboxylic acid
4-bromo1H-indole-3-carboxylic acid
1H-Indole-3-carboxylic acid, 4-bromo-
4-bromo-3-indolecarboxylic acid
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